Formula |
C16H20F3N3OS |
IUPAC Name |
n-[2-[(1r)-1,3-dimethylbutyl]-3-thienyl]-1-methyl-3-(trifluoromethyl)pyrazol-1-ium-2-ide-4-carboxamide |
Molecular Mass |
359.410 g·mol−1 |
Heat of Formation |
-645.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.75 ± 1.08 D |
Volume |
412.22 Å 3 |
Surface Area |
351.78 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
-0.49 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PFFIDZXUXFLSSR-SNVBAGLBSA-N |
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Links |
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Elements |
C
F
H
O
N
S
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