3-(3-{[(2S)-2,3-Dihydroxypropyl]Amino}Phenyl)-4-(5-Fluoro-1-Methyl-1H-Indol-3-Yl)-1H-Pyrrole-2,5-Dione

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Properties Simple | Detailed

Formula C22H20FN3O4
IUPAC Name 3-[3-[[(2s)-2,3-dihydroxypropyl]amino]phenyl]-4-(5-fluoro-1-methyl-2h-indol-1-ium-2-ylium-3-yl)pyrrole-2,5-dione
Molecular Mass 409.410 g·mol−1
Heat of Formation -552.8 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 464.16 Å 3
Surface Area 404.57 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3-(2,3-dihydroxy-propylamino)-phenyl]-4-(5-fluoro-1-methyl-1h-indol-3-yl)-pyrrole-2,5-dione
  • 3-[3-[[(2s)-2,3-dihydroxypropyl]amino]phenyl]-4-(5-fluoro-1-methyl-3-indolyl)pyrrole-2,5-dione
  • 3-[3-[[(2s)-2,3-dihydroxypropyl]amino]phenyl]-4-(5-fluoro-1-methyl-indol-3-yl)pyrrole-2,5-dione
  • 3-[3-[[(2s)-2,3-dihydroxypropyl]amino]phenyl]-4-(5-fluoro-1-methylindol-3-yl)pyrrole-2,5-dione
  • dfn
InChIKey RPGZQOOZHIEPJW-HNNXBMFYSA-N
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