(2S,3S)-3-{3-[2-Chloro-4-(Methylsulfonyl)Phenyl]-1,2,4-Oxadiazol-5-Yl}-1-Cyclopentylidene-4-Cyclopropyl-1-Fluoro-2-Butanamine
Properties
| Property | Value |
|---|---|
| Formula | C21H25ClFN3O3S |
| IUPAC Name | (2s,3s)-3-[3-(2-chloro-4-methylsulfonyl-phenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopentylidene-4-cyclopropyl-1-fluoro-butan-2-amine |
| Molecular Mass | 453.958 g·mol−1 |
| Heat of Formation | -339.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.58 ± 1.08 D |
| Volume | 509.6 Å 3 |
| Surface Area | 427.66 Å 2 |
| HOMO Energy | -9.59 ± 0.55 eV |
| LUMO Energy | -1.43 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XCCSSVMRGIQMGF-LPHOPBHVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H F O N S |