[(2R,5R,6R)-6-(3-Chlorophenyl)-5-(4-Chlorophenyl)-4-{(1S)-1-Cyclopropyl-2-[(2-Methyl-2-Propanyl)Sulfonyl]Ethyl}-3-Oxo-2-Morpholinyl]Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C27H31Cl2NO6S
IUPAC Name 2-[(2r,5r,6r)-4-[(1s)-2-tert-butylsulfonyl-1-cyclopropyl-ethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxo-morpholin-2-yl]acetic acid
Molecular Mass 568.509 g·mol−1
Heat of Formation -998.4 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 640.18 Å 3
Surface Area 468.2 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey ZTMSSDQFJNEUNG-WMMXXEOUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S