(3S,4R)-N-(7-Chloro-1-Oxo-1,4-Dihydro-6-Isoquinolinyl)-4-(4-Chlorophenyl)-3-Pyrrolidinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N