4H-Pyrrolo[2,1-C][1,4]Benzothiazine

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Properties Simple | Detailed

Formula C11H9NS
IUPAC Name 4h-pyrrolo[2,1-c][1,4]benzothiazine
Molecular Mass 187.261 g·mol−1
Heat of Formation 240.7 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 215.24 Å 3
Surface Area 204.19 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 4h-pyrrolo(2,1-c)(1,4)benzothiazine
CAS Number(s)
  • 43153-80-6
InChIKey XMFVLRPTVSHFIZ-UHFFFAOYSA-N
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Elements H S C N