(2S,3S)-2-Amino-4-Cyclopropyl-3-{(3R,5R)-3-[2-Fluoro-4-(Methylsulfonyl)Phenyl]-1,2,4-Oxadiazolidin-5-Yl}-1-[(3S)-3-Fluoro-1-Pyrrolidinyl]-1-Butanone
Properties
| Property | Value |
|---|---|
| Formula | C20H28F2N4O4S |
| IUPAC Name | (2s,3s)-2-amino-4-cyclopropyl-3-[(3r,5r)-3-(2-fluoro-4-methylsulfonyl-phenyl)-1,2,4-oxadiazolidin-5-yl]-1-[(3s)-3-fluoropyrrolidin-1-yl]butan-1-one |
| Molecular Mass | 458.523 g·mol−1 |
| Heat of Formation | -768.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.36 ± 1.08 D |
| Volume | 517.62 Å 3 |
| Surface Area | 420.85 Å 2 |
| HOMO Energy | -9.48 ± 0.55 eV |
| LUMO Energy | -1.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PTAHVQJZNFGPHN-MQPLHJKPSA-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 |