| Formula |
C20H24N2S2 |
| IUPAC Name |
1-methyl-4-[(5s)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine |
| Molecular Mass |
356.548 g·mol−1 |
| Heat of Formation |
248.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.72 ± 1.08 D |
| Volume |
433.16 Å 3 |
| Surface Area |
346.88 Å 2 |
| HOMO Energy |
-7.79 ± 0.55 eV |
| LUMO Energy |
2.72 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-methyl-4-[(6s)-8-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine
- 1-methyl-4-[(6s)-8-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine
|
| InChIKey |
RLJFTICUTYVZDG-SFHVURJKSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
S
C
N
|
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