5-[(2R)-2-{[(2R)-2-(3-Chlorophenyl)-2-Hydroxyethyl]Amino}Propyl]-1,3-Benzodioxole-2,2-Dicarboxylic Acid

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Formula C20H20ClNO7
IUPAC Name 5-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid
Molecular Mass 421.828 g·mol−1
Heat of Formation -1065.0 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 462.79 Å 3
Surface Area 350.85 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid
  • 5-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid
InChIKey JEDJMKTVUPSHFW-ABAIWWIYSA-N
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Elements H C N O Cl