11-(1-Piperazinyl)Dibenzo[B,F][1,4]Thiazepine

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Properties Simple | Detailed

Formula C17H17N3S
IUPAC Name 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine
Molecular Mass 295.402 g·mol−1
Heat of Formation 345.7 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 347.96 Å 3
Surface Area 300.2 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(1-piperazinyl)benzo[b][1,5]benzothiazepine
InChIKey JLOAJISUHPIQOX-UHFFFAOYSA-N
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Elements H S C N