(1E)-3-({(1S)-1-Carboxy-2-[4-(4-Hydroxy-3,5-Diiodophenoxy)-3,5-Diiodophenyl]Ethyl}Amino)-2-Diazonio-1-Ethoxy-3-Oxo-1-Propen-1-Olate

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Properties Simple | Detailed

Formula C20H19I4N3O7
IUPAC Name [1-[[(1s)-1-carboxy-2-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]ethyl]carbamoyl]-2-ethoxy-2-oxo-ethyl]-λ1-azanyl-azanide
Molecular Mass 920.999 g·mol−1
Heat of Formation -520.9 ± 16.7 kJ·mol−1
Dipole Moment 7.04 ± 1.08 D
Volume 633.62 Å 3
Surface Area 465.16 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
InChIKey OHJXVNCMOVVLCQ-AWEZNQCLSA-N
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