N-[3-Fluoro-2'-(Methylsulfonyl)-4-Biphenylyl]-1-[3-(5-Oxo-2,5-Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl]-3-(Trifluoromethyl)-1H-Pyrazole-5-Carboxamide
Properties
Property | Value |
---|---|
Formula | C26H18F4N6O4S |
IUPAC Name | n-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-2-[3-(5-oxo-1,2,4-triazole-1,4-diium-3-yl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide |
Molecular Mass | 586.518 g·mol−1 |
Heat of Formation | -817.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.39 ± 1.08 D |
Volume | 601.89 Å 3 |
Surface Area | 518.6 Å 2 |
HOMO Energy | -9.51 ± 0.55 eV |
LUMO Energy | -1.72 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | YIHPFOJBRPDMES-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C F H O N S |