| Formula |
C22H28N2OS2 |
| IUPAC Name |
3-[4-[(5s)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]propan-1-ol |
| Molecular Mass |
400.601 g·mol−1 |
| Heat of Formation |
41.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.46 ± 1.08 D |
| Volume |
486.67 Å 3 |
| Surface Area |
396.31 Å 2 |
| HOMO Energy |
-7.84 ± 0.55 eV |
| LUMO Energy |
-0.35 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
HQOCWPHRUQRXEC-FQEVSTJZSA-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
O
N
|
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