Adamson University - Chemistry Department 20

Computer Applications in Chemistry

Activity #6
ACD/Chemsketch
Structures, Structural Information and Drawing Tools in ChemSketch

Objective: To train students how to create molecular structures and extract some relevant
structural information using ACD/Chemsketch

Instruction/s:

1. Explore the different functions of Chemsketch by copying the structures below.

2. Copy the structures to MS Word
3. Save file using this format: FamilyName_FirstLetterofFirstName-Structures.docx
4. SAVE file in a flash drive and submit to your instructor.

______________________________________________________________________________

A. Copy the following structures.

H3C CH3
H3C H3C CH3
CH3

H3C CH3
CH3

F
H3C CH3

CH3 H3C CH3

F F
F F F

H3C F

F
10
2 9 30
1 24 29
F 22 25
3 20
F 8
F 32 23 28
16 14 12 4 21
3118 26
7
27
F 17 15 13 11 5 6
19
O
OH
O
HO

OH
O
HO O
HO
O
HO O

NH2
NH NH2
O NH
N
N NH2 O NH
N NH
N
N NH2
N OH
HO N
H + N OH
HO N
OH
OH
 - +
+
H3C N H3C N H3C NH H3C NH H3C H3C
NH2
H3C CH3 CH3 CH3
CH3 CH3
N N

O O

O O

O O
O

NH2

OH N
N
-
O P O
N N
O
O

O
O
NH
-
O P O
N O
O
O

OH

22
 Adamson University - Chemistry Department 23
Computer Applications in Chemistry

View the Optimized 3D structure of this molecule

H OH

O O
H OH H OH
H
H H H
H H
H
O H
H OH
H OH

Also, determine the following properties of this compound:

Molecular Formula = Surface Tension =

Formula Weight = Density =
Composition = Dielectric Constant =
Molar Refractivity = Polarizability =
Molar Volume = Monoisotopic Mass =
Parachor = Nominal Mass =
Index of Refraction = Average Mass =

B. Copy the setups below: