3-[3-(4-Azidophenyl)Sulfonyl-1-[(4-Hydroxy-3-Iodo-Phenyl)Methyl]-5-Isopropyl-Indol-1-Ium-2-Yl]-2,2-Dimethyl-Propanoic Acid

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Properties Simple | Detailed

Formula C29H30IN4O5S
IUPAC Name 3-[3-(4-azidophenyl)sulfonyl-1-[(4-hydroxy-3-iodo-phenyl)methyl]-5-isopropyl-indol-1-ium-2-yl]-2,2-dimethyl-propanoic acid
Molecular Mass 673.542 g·mol−1
Heat of Formation -320.6 ± 16.7 kJ·mol−1
Dipole Moment 9.48 ± 1.08 D
Volume 692.34 Å 3
Surface Area 488.56 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 3.09 ± eV
Point Group Symmetry C1
InChIKey WOLRWPKCBMVJHC-UHFFFAOYSA-N
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