Formula |
C21H27N3O5 |
IUPAC Name |
o2-benzyl o3-tert-butyl (2r,3r)-1-[(2s)-2-aminopropanoyl]-2-cyano-pyrrolidine-2,3-dicarboxylate |
Molecular Mass |
401.456 g·mol−1 |
Heat of Formation |
-761.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.97 ± 1.08 D |
Volume |
483.71 Å 3 |
Surface Area |
361.39 Å 2 |
HOMO Energy |
-9.65 ± 0.55 eV |
LUMO Energy |
-0.07 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SHFUZTLXAWLVAB-HTZUNMPGSA-N |
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Elements |
H
C
O
N
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