(-)-(2S,3A,7A-Cis)-A-Benzylhexahydro-G-Oxo-2-Isoindolinebutyric Acid

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Formula C19H25NO3
IUPAC Name (2s)-4-[(3ar,7as)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-benzyl-4-oxo-butanoic acid
Molecular Mass 315.407 g·mol−1
Heat of Formation -592.9 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 398.2 Å 3
Surface Area 317.93 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-[(3ar,7as)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-(benzyl)-4-keto-butyric acid
  • (2s)-4-[(3ar,7as)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-oxo-2-(phenylmethyl)butanoic acid
InChIKey WPGGHFDDFPHPOB-BBWFWOEESA-N
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