Formula |
C32H46N2O2S2 |
IUPAC Name |
3-[4-[(5r)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-yl]propyl decanoate |
Molecular Mass |
554.850 g·mol−1 |
Heat of Formation |
-372.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.70 ± 1.08 D |
Volume |
716.36 Å 3 |
Surface Area |
518.01 Å 2 |
HOMO Energy |
-8.06 ± 0.55 eV |
LUMO Energy |
2.68 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SUVSVBSQNAUQJU-GDLZYMKVSA-N |
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Elements |
H
S
C
O
N
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