(1Z)-1-({(1S)-1-Carboxy-2-[4-(4-Hydroxy-3-Iodophenoxy)-3,5-Diiodophenyl]Ethyl}Amino)-2-Diazonio-3,3,3-Trifluoro-1-Propen-1-Olate

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Properties Simple | Detailed

Formula C18H15F3I3N3O5
IUPAC Name [1-[[(1s)-1-carboxy-2-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]ethyl]carbamoyl]-2,2,2-trifluoro-ethyl]-λ1-azanyl-azanide
Molecular Mass 791.037 g·mol−1
Heat of Formation -887.8 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 558.03 Å 3
Surface Area 418.06 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
InChIKey VFCXAXWEBBFKJN-SUQMRRJOSA-N
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