Formula |
C28H29NO4S |
IUPAC Name |
[(2s,3r)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrobenzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone |
Molecular Mass |
475.599 g·mol−1 |
Heat of Formation |
-419.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.64 ± 1.08 D |
Volume |
566.22 Å 3 |
Surface Area |
481.9 Å 2 |
HOMO Energy |
-8.35 ± 0.55 eV |
LUMO Energy |
2.48 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IKZMTNSYXDOFJH-IXCJQBJRSA-N |
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Elements |
H
C
S
O
N
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