2-(3-{[N-Ethyl-N-(2-Hydroxyethyl)Glycyl]Amino}-2,4,6-Triiodobenzyl)Butanoic Acid

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Formula C17H23I3N2O4
IUPAC Name (2s)-2-[[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-2,4,6-triiodo-phenyl]methyl]butanoic acid
Molecular Mass 700.089 g·mol−1
Heat of Formation -512.9 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 529.62 Å 3
Surface Area 417.38 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey DWBKQIMYWZACBK-JTQLQIEISA-N
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