Formula |
C27H38N2O5 |
IUPAC Name |
(2'r,3r)-1'-[(2s)-2-[[(1r)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]spiro[bicyclo[2.2.2]octane-3,4'-pyrrolidine]-2'-carboxylic acid |
Molecular Mass |
470.601 g·mol−1 |
Heat of Formation |
-976.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.38 ± 1.08 D |
Volume |
589.34 Å 3 |
Surface Area |
460.99 Å 2 |
HOMO Energy |
-9.53 ± 0.55 eV |
LUMO Energy |
-0.10 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
NWHCDUODNHUNLN-KABMVNLWSA-N |
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Elements |
H
C
O
N
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