2-{3-[(3-Fluorophenyl)Sulfonyl]-1H-Pyrrolo[2,3-B]Pyridin-1-Yl}-N,N-Dimethylethanamine

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Formula C17H18FN3O2S
IUPAC Name 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-ium-1-yl]-n,n-dimethyl-ethanamine
Molecular Mass 347.407 g·mol−1
Heat of Formation -225.1 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 399.52 Å 3
Surface Area 318.75 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[3-(3-fluorophenyl)sulfonyl-1-pyrrolo[2,3-b]pyridinyl]-n,n-dimethylethanamine
  • 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-n,n-dimethyl-ethanamine
  • 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-n,n-dimethylethanamine
  • 2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]ethyl-dimethyl-amine
InChIKey SFSFIDVAEMDPIP-UHFFFAOYSA-N
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