Formula |
C21H29Cl2N3O3 |
IUPAC Name |
tert-butyl n-[(3s,5r)-5-[cyclopropyl-[(2,3-dichlorophenyl)methyl]carbamoyl]-3-piperidyl]carbamate |
Molecular Mass |
442.379 g·mol−1 |
Heat of Formation |
-559.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.81 ± 1.08 D |
Volume |
520.17 Å 3 |
Surface Area |
430.49 Å 2 |
HOMO Energy |
-9.29 ± 0.55 eV |
LUMO Energy |
2.42 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VPHFZAIDKCROMZ-CABCVRRESA-N |
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Elements |
H
C
Cl
O
N
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