(3S,11S)-11-(3-Chloro-4-Hydroxy-5-Methoxyphenyl)-3-Phenyl-2,3,4,5,10,11-Hexahydro-1H-Dibenzo[B,E][1,4]Diazepin-1-One

Molecule SVG Image

Properties Simple | Detailed

Formula C26H23ClN2O3
IUPAC Name (6s,9s)-6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Molecular Mass 446.925 g·mol−1
Heat of Formation -171.6 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 508.06 Å 3
Surface Area 407.54 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,9s)-6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[c][1,5]benzodiazepin-7-one
  • (6s,9s)-6-(3-chloro-4-hydroxy-5-methoxyphenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[c][1,5]benzodiazepin-7-one
InChIKey OSQNVTKXOKFBHH-LMKMVOKYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Cl O N