2-[2,4,6-Triiodo-3-(2-Oxo-1-Pyrrolidinyl)Benzyl]Butanoic Acid

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Properties Simple | Detailed

Formula C15H16I3NO3
IUPAC Name (2r)-2-[[2,4,6-triiodo-3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanoic acid
Molecular Mass 639.006 g·mol−1
Heat of Formation -325.4 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 445.4 Å 3
Surface Area 350.11 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey MJGWMPWEXXUAPD-MRVPVSSYSA-N
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