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 |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
S
C
N
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