4-({[6-Chloro-5-Formyl-2-(Methylsulfanyl)-4-Pyrimidinyl]Amino}Methyl)Benzenesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C13H13ClN4O3S2
IUPAC Name 4-[[(6-chloro-5-formyl-2-methylsulfanyl-pyrimidin-4-yl)amino]methyl]benzenesulfonamide
Molecular Mass 372.850 g·mol−1
Heat of Formation -227.8 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 384.54 Å 3
Surface Area 355.41 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry Cs
InChIKey NPWLBLGDDVPXFE-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S