2-({[4-(Hydroxymethyl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Acetyl}Amino)-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C16H17F3N4O3S |
| IUPAC Name | 2-[[2-[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide |
| Molecular Mass | 402.391 g·mol−1 |
| Heat of Formation | -951.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.67 ± 1.08 D |
| Volume | 417.79 Å 3 |
| Surface Area | 376.77 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | 2.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZGRBZBGNPZBNLW-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 |