Formula |
C17H21IN2O6 |
IUPAC Name |
(2s)-1-[(2s)-2-[[(1s)-1-carboxy-2-(4-hydroxy-3-iodo-phenyl)ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid |
Molecular Mass |
476.263 g·mol−1 |
Heat of Formation |
-984.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.17 ± 1.08 D |
Volume |
463.87 Å 3 |
Surface Area |
359.53 Å 2 |
HOMO Energy |
-8.77 ± 0.55 eV |
LUMO Energy |
-0.47 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OWPKZUVCCJEJRB-XDTLVQLUSA-N |
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Elements |
I
H
C
O
N
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