6-{[(2R,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-[[(2r,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 | -910.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.89 ± 1.08 D |
Volume | 744.26 Å 3 |
Surface Area | 513.56 Å 2 |
HOMO Energy | -9.62 ± 0.55 eV |
LUMO Energy | 2.00 ± eV |
Point Group Symmetry | C1 |
InChIKey | OTQRFDJHHZHHNT-OZLMZZSTSA-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 |