5-Fluoro-3-[2-(4-Methoxy-4-{[(S)-Phenylsulfinyl]Methyl}-1-Piperidinyl)Ethyl]-1H-Indole

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Formula C23H27FN2O2S
IUPAC Name 5-fluoro-3-[2-[4-methoxy-4-[[(s)-phenylsulfinyl]methyl]-1-piperidyl]ethyl]-1h-indole
Molecular Mass 414.536 g·mol−1
Heat of Formation -239.1 ± 16.7 kJ·mol−1
Dipole Moment 6.58 ± 1.08 D
Volume 494.11 Å 3
Surface Area 408.23 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • 5-fluoro-3-[2-[4-methoxy-4-[[(s)-phenylsulfinyl]methyl]-1-piperidinyl]ethyl]-1h-indole
  • 5-fluoro-3-[2-[4-methoxy-4-[[(s)-phenylsulfinyl]methyl]-1-piperidyl]ethyl]-1h-indole
  • 5-fluoro-3-[2-[4-methoxy-4-[[(s)-phenylsulfinyl]methyl]piperidin-1-yl]ethyl]-1h-indole
InChIKey BANYJBHWTOJQDU-LJAQVGFWSA-N
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