Formula |
C22H26FN3O2S |
IUPAC Name |
(2r)-1-[4-[1,3-benzothiazol-2-yl(methyl)amino]-1-piperidyl]-3-(4-fluorophenoxy)propan-2-ol |
Molecular Mass |
415.524 g·mol−1 |
Heat of Formation |
-248.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.04 ± 1.08 D |
Volume |
513.52 Å 3 |
Surface Area |
399.9 Å 2 |
HOMO Energy |
-8.26 ± 0.55 eV |
LUMO Energy |
-0.63 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IGMKTIJBFUMVIN-GOSISDBHSA-N |
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Elements |
C
F
H
O
N
S
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