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

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Formula C23H16ClN3OS
IUPAC Name 7-(4-chlorophenyl)-5-(2-naphthyl)-6-thioxo-2,3-dihydro-1h-pyrrolo[3,4-e][1,4]diazepin-8-one
Molecular Mass 417.911 g·mol−1
Heat of Formation 376.0 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 462.49 Å 3
Surface Area 389.43 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2'-naphthyl)-7-4-chlorophenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1h,7h)one
  • 7-(4-chlorophenyl)-2,3,6,7-tetrahydro-5-(2-naphthalenyl)-6-thioxopyrrolo(3,4-e)-1,4-diazepin-8(1h)-one
  • 7-(4-chlorophenyl)-5-(2-naphthyl)-6-thioxo-2,3-dihydro-1h-pyrrolo[4,3-f][1,4]diazepin-8-one
  • 7-(4-chlorophenyl)-5-naphthalen-2-yl-6-sulfanylidene-2,3-dihydro-1h-pyrrolo[4,3-f][1,4]diazepin-8-one
  • dentacolor
  • pdcl
  • pyrrolo(3,4-e)-1,4-diazepin-8(1h)-one, 7-(4-chlorophenyl)-2,3,6,7-tetrahydro-5-(2-naphthalenyl)-6-thioxo-
CAS Number(s)
  • 96957-27-6
  • 96935-47-6
InChIKey LBJBPGRQRGLKPL-UHFFFAOYSA-N
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