5-(2-Naphthyl)-7-Phenyl-6-Thioxo-2,3,6,7-Tetrahydropyrrolo[3,4-E][1,4]Diazepin-8(1H)-One

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Formula C23H17N3OS
IUPAC Name 5-(2-naphthyl)-7-phenyl-6-thioxo-2,3-dihydro-1h-pyrrolo[3,4-e][1,4]diazepin-8-one
Molecular Mass 383.466 g·mol−1
Heat of Formation 415.4 ± 16.7 kJ·mol−1
Dipole Moment 4.41 ± 1.08 D
Volume 440.08 Å 3
Surface Area 372.41 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2'-naphthyl)-7-phenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1h,7h)one
  • 5-(2-naphthyl)-7-phenyl-6-thioxo-2,3-dihydro-1h-pyrrolo[4,3-f][1,4]diazepin-8-one
  • pd-npt
  • pyrrolo(3,4-e)-1,4-diazepin-8(1h)-one, 2,3,6,7-tetrahydro-5-(2-naphthalenyl)-7-phenyl-6-thioxo-
CAS Number(s)
  • 96920-30-8
InChIKey DSRWDXVXVYABNZ-UHFFFAOYSA-N
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