6-{[(2S,5R,6R)-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-4-{(1S)-1-Cyclopropyl-2-[(2-Methyl-2-Propanyl)Sulfonyl]Ethyl}-2-Methyl-3-Oxo-2-Morpholinyl]Methyl}Nicotinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C33H36Cl2N2O6S |
| IUPAC Name | 6-[[(2s,5r,6r)-4-[(1s)-2-tert-butylsulfonyl-1-cyclopropyl-ethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-3-oxo-morpholin-2-yl]methyl]pyridine-3-carboxylic acid |
| Molecular Mass | 659.620 g·mol−1 |
| Heat of Formation | -894.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.32 ± 1.08 D |
| Volume | 751.82 Å 3 |
| Surface Area | 553.89 Å 2 |
| HOMO Energy | -9.62 ± 0.55 eV |
| LUMO Energy | 2.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OTQRFDJHHZHHNT-LNHQPZRBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |