Formula |
C27H31Cl2NO5 |
IUPAC Name |
2-[(3r,5r,6s)-1-[(1s)-1-tert-butoxycarbonylpropyl]-5-(3-chlorophenyl)-6-(4-chlorophenyl)-2-oxo-3-piperidyl]acetic acid |
Molecular Mass |
520.445 g·mol−1 |
Heat of Formation |
-995.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.50 ± 1.08 D |
Volume |
616.85 Å 3 |
Surface Area |
467.5 Å 2 |
HOMO Energy |
-9.55 ± 0.55 eV |
LUMO Energy |
-0.83 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZEMLYWMOSZRCQL-UWSZBUKDSA-N |
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Elements |
H
C
N
O
Cl
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