6-{[(3R,5R,6S)-5-(3-Chlorophenyl)-6-(4-Chlorophenyl)-1-{(1S)-1-Cyclopropyl-2-[(2-Methyl-2-Propanyl)Sulfonyl]Ethyl}-3-Methyl-2-Oxo-3-Piperidinyl]Methyl}Nicotinic Acid
Properties
| Property | Value |
|---|---|
| Formula | C34H38Cl2N2O5S |
| IUPAC Name | 6-[[(3r,5r,6s)-1-[(1s)-2-tert-butylsulfonyl-1-cyclopropyl-ethyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-2-oxo-3-piperidyl]methyl]pyridine-3-carboxylic acid |
| Molecular Mass | 657.647 g·mol−1 |
| Heat of Formation | -757.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.67 ± 1.08 D |
| Volume | 753.71 Å 3 |
| Surface Area | 537.98 Å 2 |
| HOMO Energy | -9.52 ± 0.55 eV |
| LUMO Energy | 2.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PNBIDSMJDDJULQ-JCUDBWTNSA-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 |