Formula |
C24H22F5N5O2S |
IUPAC Name |
1-[4-[4-[(5s)-5-(2,6-difluorophenyl)-4,5-dihydroisoxazol-3-yl]thiazol-2-yl]-1-piperidyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone |
Molecular Mass |
539.521 g·mol−1 |
Heat of Formation |
-800.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.88 ± 1.08 D |
Volume |
577.37 Å 3 |
Surface Area |
495.07 Å 2 |
HOMO Energy |
-9.21 ± 0.55 eV |
LUMO Energy |
1.76 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IAQLCKZJGNTRDO-IBGZPJMESA-N |
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Elements |
C
F
H
O
N
S
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