5-(2-Chlorophenyl)-3,4-Dihydro-2H-Thieno[2,3-E][1,4]Diazepin-2-One

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Formula C13H9ClN2OS
IUPAC Name 5-(2-chlorophenyl)-3,4-dihydrothieno[2,3-e][1,4]diazepin-2-one
Molecular Mass 276.741 g·mol−1
Heat of Formation 131.8 ± 16.7 kJ·mol−1
Dipole Moment 8.55 ± 1.08 D
Volume 296.77 Å 3
Surface Area 260.84 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-thieno(2,3-e)-1,4-diazepin-2-one, 5-(2-chlorophenyl)-1,3-dihydro-
  • 5-(2-chlorophenyl)-1,3-dihydro-2h-thieno(2,3-e)(1,4)diazepin-2-one
  • tdoh
CAS Number(s)
  • 36811-58-2
InChIKey WEWVJBLFMSWTSW-UHFFFAOYSA-N
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