2-[(2R)-1-(Ethylsulfonyl)-2-Hydroxy-2-Propanyl]-6-(Trifluoromethyl)-1H-Indole-5-Carbonitrile

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Properties Simple | Detailed

Formula C15H15F3N2O3S
IUPAC Name 2-[(1r)-2-ethylsulfonyl-1-hydroxy-1-methyl-ethyl]-6-(trifluoromethyl)indol-1-ium-2-ylium-5-carbonitrile
Molecular Mass 360.351 g·mol−1
Heat of Formation -980.7 ± 16.7 kJ·mol−1
Dipole Moment 14.31 ± 1.08 D
Volume 380.03 Å 3
Surface Area 333.65 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r)-2-ethylsulfonyl-1-hydroxy-1-methyl-ethyl]-6-(trifluoromethyl)-1h-indole-5-carbonitrile
  • 2-[(1r)-2-ethylsulfonyl-1-hydroxy-1-methylethyl]-6-(trifluoromethyl)-1h-indole-5-carbonitrile
  • 2-[(2r)-1-ethylsulfonyl-2-hydroxy-propan-2-yl]-6-(trifluoromethyl)-1h-indole-5-carbonitrile
  • 2-[(2r)-1-ethylsulfonyl-2-hydroxypropan-2-yl]-6-(trifluoromethyl)-1h-indole-5-carbonitrile
InChIKey UJGGNFGSHPHGNE-AWEZNQCLSA-N
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