4-[3-[3-Fluoro-4-(2-Methylpyrazol-2-Ium-1-Id-3-Yl)Phenyl]Sulfanylphenyl]Tetrahydropyran-4-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C22H22FN3O2S |
| IUPAC Name | 4-[3-[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]sulfanylphenyl]tetrahydropyran-4-carboxamide |
| Molecular Mass | 411.492 g·mol−1 |
| Heat of Formation | -221.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.84 ± 1.08 D |
| Volume | 474.43 Å 3 |
| Surface Area | 364.3 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | 1.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JMDVYHQSDFQRIS-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |