(2S)-N-(5,5-Dioxido-10-Oxo-4,10-Dihydrothieno[3,2-C][1]Benzothiepin-9-Yl)-3,3,3-Trifluoro-2-Hydroxy-2-Methylpropanamide
Properties
Property | Value |
---|---|
Formula | C16H12F3NO5S2 |
IUPAC Name | (2s)-3,3,3-trifluoro-2-hydroxy-2-methyl-n-(5,5,10-trioxo-4h-thieno[3,2-c][1]benzothiepin-9-yl)propanamide |
Molecular Mass | 419.395 g·mol−1 |
Heat of Formation | -1279.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.68 ± 1.08 D |
Volume | 410.01 Å 3 |
Surface Area | 334.81 Å 2 |
HOMO Energy | -9.38 ± 0.55 eV |
LUMO Energy | -1.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | NAFSYPCVPLWHFY-HNNXBMFYSA-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 |