8-Aminodibenzo[B,F][1,4]Thiazepin-11(10H)-One

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Properties Simple | Detailed

Formula C13H10N2OS
IUPAC Name 3-amino-5h-benzo[b][1,4]benzothiazepin-6-one
Molecular Mass 242.296 g·mol−1
Heat of Formation 54.1 ± 16.7 kJ·mol−1
Dipole Moment 5.90 ± 1.08 D
Volume 269.16 Å 3
Surface Area 248.02 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 3-amino-5h-benzo[b][1,4]benzothiazepin-6-one
  • 8-amino-10,11-dihydro-dibenzo(b,e)(1,4)thiazepin-11-one
  • 8-amino-10,11-dihydrodibenzo(b,e)1,4-thiazepin-11-one
  • 8-aminodibenzo(b,f)(1,4)thiazepin-11(10h)-one
  • dibenzo(b,f)(1,4)thiazepin-11(10h)-one, 8-amino-
CAS Number(s)
  • 105554-89-0
InChIKey QMOTTXDANOXDPK-UHFFFAOYSA-N
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