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

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Properties Simple | Detailed

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
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Elements C Cl H O N S