(2R)-6-[(2R)-2-{[(2R)-2-(3-Chlorophenyl)-2-Hydroxyethyl]Amino}Propyl]-2,3-Dihydro-1,4-Benzodioxine-2-Carboxylic Acid

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Formula C20H22ClNO5
IUPAC Name (2r)-6-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid
Molecular Mass 391.845 g·mol−1
Heat of Formation -797.1 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 441.63 Å 3
Surface Area 330.84 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-7-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
  • (3r)-7-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
InChIKey XSOXUIXLUNBLJA-RNRVQEDPSA-N
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Elements H C N O Cl