5-Phenyl-3,4,6,7,8,9-Hexahydro-2H-[1]Benzothieno[2,3-E][1,4]Diazepin-2-One

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Formula C17H16N2OS
IUPAC Name 5-phenyl-3,4,6,7,8,9-hexahydrobenzothiopheno[2,3-e][1,4]diazepin-2-one
Molecular Mass 296.387 g·mol−1
Heat of Formation 106.3 ± 16.7 kJ·mol−1
Dipole Moment 8.71 ± 1.08 D
Volume 340.52 Å 3
Surface Area 295.28 Å 2
HOMO Energy -8.03 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,6,7,8,9-hexahydro-5-phenyl-2h-(1)benzothieno(2,3-e)-1,4-diazepin-2-one
  • 2h-(1)benzothieno(2,3-e)-1,4-diazepin-2-one, 1,3,6,7,8,9-hexahydro-5-phenyl-
  • 5-phenyl-3,4,6,7,8,9-hexahydro-[1]benzothiolo[3,2-f][1,4]diazepin-2-one
  • 5-phenyl-3,4,6,7,8,9-hexahydrobenzothiopheno[3,2-f][1,4]diazepin-2-one
  • 6,7-tetramethylene-5-phenyl-1,2-dihydro-3h-thieno(2,3-e)(1,4)diazepin-2-one
  • bentazepam
  • bentazepam (usan)
  • d03083
  • oprea1_231952
  • qm-6008
  • tiadipona
CAS Number(s)
  • 29462-18-8
InChIKey CXEGHCTZKNQDGO-UHFFFAOYSA-N
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