7-Chloro-5-Phenyl-1-[2-(Phenylsulfanyl)Ethyl]-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C23H19ClN2OS
IUPAC Name 7-chloro-5-phenyl-1-(2-phenylsulfanylethyl)-3h-1,4-benzodiazepin-2-one
Molecular Mass 406.928 g·mol−1
Heat of Formation 194.9 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 469.5 Å 3
Surface Area 379.75 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dihydro-7-chloro-5-phenyl-1-(2-(phenylthio)ethyl)-2h-1,4-benzodiazepin-2-one
  • 2h-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-phenyl-1-(2-(phenylthio)ethyl)-
  • 7-chloro-5-phenyl-1-(2-phenylsulfanylethyl)-3h-1,4-benzodiazepin-2-one
  • 7-chloro-5-phenyl-1-[2-(phenylthio)ethyl]-3h-1,4-benzodiazepin-2-one
CAS Number(s)
  • 27369-47-7
InChIKey HJJQJGOIWJMBTE-UHFFFAOYSA-N
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