| Formula |
C25H22F3N5O4S |
| IUPAC Name |
6-methyl-5-(2-methylpyrazol-2-ium-1-id-3-yl)-n-[(5-methylsulfonyl-2-pyridyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide |
| Molecular Mass |
545.533 g·mol−1 |
| Heat of Formation |
-868.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
10.51 ± 1.08 D |
| Volume |
591.3 Å 3 |
| Surface Area |
504.27 Å 2 |
| HOMO Energy |
-9.62 ± 0.55 eV |
| LUMO Energy |
1.60 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
QNQZWEGMKJBHEM-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
O
N
S
|
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