Formula |
C18H25N5O5 |
IUPAC Name |
methyl (2s)-1-[(2r)-3-imidazol-3-ium-4-ylium-4-yl-2-[[(2s)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]piperidine-2-carboxylate |
Molecular Mass |
391.422 g·mol−1 |
Heat of Formation |
-808.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.99 ± 1.08 D |
Volume |
456.43 Å 3 |
Surface Area |
375.04 Å 2 |
HOMO Energy |
-9.44 ± 0.55 eV |
LUMO Energy |
0.05 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XBIMPEXPZJZUMP-MJBXVCDLSA-N |
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Elements |
H
C
O
N
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