[5-Methoxy-2-({[4-(Trifluoromethyl)Benzyl]Sulfonyl}Carbamoyl)-1H-Indol-1-Yl]Acetic Acid

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Formula C20H17F3N2O6S
IUPAC Name 2-[5-methoxy-2-[[4-(trifluoromethyl)phenyl]methylsulfonylcarbamoyl]indol-1-ium-2-ylium-1-yl]acetic acid
Molecular Mass 470.419 g·mol−1
Heat of Formation -1431.4 ± 16.7 kJ·mol−1
Dipole Moment 8.15 ± 1.08 D
Volume 492.39 Å 3
Surface Area 427.16 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
InChIKey BCONJIVPNWPJDO-UHFFFAOYSA-N
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