(2S,3R)-3-(3,4-Dihydroxyphenyl)-2-{[3-(4-Fluorophenyl)Propyl]Amino}-3-Hydroxy-1-(1-Pyrrolidinyl)-1-Propanone

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Formula C22H27FN2O4
IUPAC Name (2s,3r)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-yl-propan-1-one
Molecular Mass 402.459 g·mol−1
Heat of Formation -759.2 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 483.79 Å 3
Surface Area 418.53 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-1-pyrrolidinylpropan-1-one
  • (2s,3r)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-yl-propan-1-one
  • (2s,3r)-3-(3,4-dihydroxyphenyl)-2-[3-(4-fluorophenyl)propylamino]-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
InChIKey WMLMGUZNOSTCJX-LEWJYISDSA-N
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