Vercirnon

Molecule SVG Image

Properties Simple | Detailed

Formula C22H21ClN2O4S
IUPAC Name 4-tert-butyl-n-[4-chloro-2-(1-oxidopyridin-1-ium-4-carbonyl)phenyl]benzenesulfonamide
Molecular Mass 444.931 g·mol−1
Heat of Formation -329.7 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 502.87 Å 3
Surface Area 371.43 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
Synonyms
  • 4-tert-butyl-n-[4-chloro-2-(1-oxidopyridin-1-ium-4-yl)carbonyl-phenyl]benzenesulfonamide
  • 4-tert-butyl-n-[4-chloro-2-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]phenyl]benzenesulfonamide
InChIKey JRWROCIMSDXGOZ-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