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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Elements |
H
S
C
O
N
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