Ibipinabant

Molecule SVG Image

Properties Simple | Detailed

Formula C23H20Cl2N4O2S
IUPAC Name (4s)-5-(4-chlorophenyl)-n-(4-chlorophenyl)sulfonyl-n'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboxamidine
Molecular Mass 487.402 g·mol−1
Heat of Formation 133.5 ± 16.7 kJ·mol−1
Dipole Moment 6.10 ± 1.08 D
Volume 545.38 Å 3
Surface Area 455.15 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-3-(4-chlorophenyl)-n-(4-chlorophenyl)sulfonyl-n'-methyl-4-phenyl-4,5-dihydropyrazole-1-carboxamidine
  • (4s)-3-(4-chlorophenyl)-n-(4-chlorophenyl)sulfonyl-n'-methyl-4-phenyl-4,5-dihydropyrazole-1-carboximidamide
InChIKey AXJQVVLKUYCICH-OAQYLSRUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S