4-({[(3R,5R,6S)-6-(4-Chloro-3-Fluorophenyl)-5-(3-Chlorophenyl)-1-{(1S)-1-Cyclopropyl-2-[(2-Methyl-2-Propanyl)Sulfonyl]Ethyl}-3-Methyl-2-Oxo-3-Piperidinyl]Acetyl}Amino)-2-Methoxybenzoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C37H41Cl2FN2O7S |
| IUPAC Name | 4-[[2-[(3r,5r,6s)-1-[(1s)-2-tert-butylsulfonyl-1-cyclopropyl-ethyl]-6-(4-chloro-3-fluoro-phenyl)-5-(3-chlorophenyl)-3-methyl-2-oxo-3-piperidyl]acetyl]amino]-2-methoxy-benzoic acid |
| Molecular Mass | 747.700 g·mol−1 |
| Heat of Formation | -1349.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.46 ± 1.08 D |
| Volume | 842.21 Å 3 |
| Surface Area | 591.81 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | 2.03 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QGOICCMBEDDFCI-NXQGQTBASA-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 |