Formula |
C26H31Cl2NO6S |
IUPAC Name |
2-[(2s,5r,6r)-4-[(1s)-1-(tert-butylsulfonylmethyl)propyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-3-oxo-morpholin-2-yl]acetic acid |
Molecular Mass |
556.498 g·mol−1 |
Heat of Formation |
-1086.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.30 ± 1.08 D |
Volume |
630.84 Å 3 |
Surface Area |
464.47 Å 2 |
HOMO Energy |
-9.71 ± 0.55 eV |
LUMO Energy |
2.34 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UQONPZNBMIQADI-NEUULRRLSA-N |
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Elements |
C
Cl
H
O
N
S
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