2-{[5-Cyano-4-(3,4-Dichlorophenyl)-6-Oxo-1,6-Dihydro-2-Pyrimidinyl]Sulfanyl}-N-(4-Sulfamoylphenyl)Propanamide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H15Cl2N5O4S2
IUPAC Name (2r)-2-[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-pyrimidin-2-yl]sulfanyl-n-(4-sulfamoylphenyl)propanamide
Molecular Mass 524.400 g·mol−1
Heat of Formation -313.3 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 546.87 Å 3
Surface Area 472.5 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy -2.14 ± eV
Point Group Symmetry C1
InChIKey YDJOCTZRWDYNJT-SNVBAGLBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S