Formula |
C17H22F3N3O3S |
IUPAC Name |
n-[(2s)-2-[4-[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]propyl]propane-2-sulfonamide |
Molecular Mass |
405.435 g·mol−1 |
Heat of Formation |
-966.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.08 ± 1.08 D |
Volume |
451.27 Å 3 |
Surface Area |
401.59 Å 2 |
HOMO Energy |
-9.41 ± 0.55 eV |
LUMO Energy |
2.04 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
JXMBLTBPIRRCAZ-GFCCVEGCSA-N |
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Links |
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Downloads |
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Elements |
C
F
H
O
N
S
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