Formula |
C23H26F4N2OS |
IUPAC Name |
2-[4-[3-[(9r)-6-fluoro-2-(trifluoromethyl)-9h-thioxanthen-9-yl]propyl]piperazin-1-yl]ethanol |
Molecular Mass |
454.524 g·mol−1 |
Heat of Formation |
-861.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.63 ± 1.08 D |
Volume |
521.22 Å 3 |
Surface Area |
436.81 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
-1.00 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BJWAPFORUPUXRJ-GOSISDBHSA-N |
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Elements |
C
F
H
O
N
S
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