(2S,3R)-3-{[3,5-Bis(Trifluoromethyl)Phenyl]Amino}-2-Cyano-3-Sulfanylpropanamide
Properties
Property | Value |
---|---|
Formula | C12H9F6N3OS |
IUPAC Name | (2s,3r)-3-[3,5-bis(trifluoromethyl)anilino]-2-cyano-3-sulfanyl-propanamide |
Molecular Mass | 357.275 g·mol−1 |
Heat of Formation | -1269.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.22 ± 1.08 D |
Volume | 358.31 Å 3 |
Surface Area | 314.59 Å 2 |
HOMO Energy | -9.64 ± 0.55 eV |
LUMO Energy | -1.55 ± eV |
Point Group Symmetry | C1 |
InChIKey | ZTUMRSFHUOBXAC-WCBMZHEXSA-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 |