(2E)-3-{4-[(2R)-2-Cyclopropyl-2-Fluoroethoxy]-2,5-Difluorophenyl}-2-Methyl-N-[(3Ar,4S,5S,6R,7S,7As)-4,6,7-Trihydroxyhexahydro-1,3-Benzodioxol-5-Yl]Acrylamide
Properties
| Property | Value |
|---|---|
| Formula | C22H26F3NO7 |
| IUPAC Name | (e)-n-[(3ar,4s,5s,6r,7s,7as)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]-3-[4-[(2r)-2-cyclopropyl-2-fluoro-ethoxy]-2,5-difluoro-phenyl]-2-methyl-prop-2-enamide |
| Molecular Mass | 473.440 g·mol−1 |
| Heat of Formation | -1618.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.36 ± 1.08 D |
| Volume | 527.37 Å 3 |
| Surface Area | 447.38 Å 2 |
| HOMO Energy | -9.35 ± 0.55 eV |
| LUMO Energy | 2.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SIOAQNNLFVHYDC-KURXJLPMSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O F |