Formula |
C20H17Cl2N3O2 |
IUPAC Name |
(3s,4r)-n-(7-chloro-1-oxo-4h-isoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide |
Molecular Mass |
402.274 g·mol−1 |
Heat of Formation |
-113.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.24 ± 1.08 D |
Volume |
438.69 Å 3 |
Surface Area |
387.35 Å 2 |
HOMO Energy |
-9.54 ± 0.55 eV |
LUMO Energy |
-1.18 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WWMMSIAGRVSGLG-JKSUJKDBSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
Cl
O
N
|
|
|