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Formula C22H26N2O2S
IUPAC Name 5-[2-(benzenesulfonyl)ethyl]-3-[[(1s,2r)-1-methylpyrrolidin-2-yl]methyl]-2h-indol-1-ium-2-ylium
Molecular Mass 382.519 g·mol−1
Heat of Formation -121.1 ± 16.7 kJ·mol−1
Dipole Moment 7.68 ± 1.08 D
Volume 484.15 Å 3
Surface Area 386.47 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole, 3-(((2r)-1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)ethyl)-
  • 3-[[(2r)-1-methyl-2-pyrrolidinyl]methyl]-5-(2-phenylsulfonylethyl)-1h-indole
  • 3-[[(2r)-1-methylpyrrolidin-2-yl]methyl]-5-(2-phenylsulfonylethyl)-1h-indole
  • uk 116044
  • uk-116044
  • uk-116044-04
CAS Number(s)
  • 143322-58-1
InChIKey PWVXXGRKLHYWKM-LJQANCHMSA-N
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