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 |
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Elements |
C
Cl
H
O
N
S
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