Mgs-0039

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Formula C15H14Cl2FNO5
IUPAC Name (1r,2r,3r,5r,6r)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Molecular Mass 378.180 g·mol−1
Heat of Formation -950.0 ± 16.7 kJ·mol−1
Dipole Moment 3.03 ± 1.08 D
Volume 396.2 Å 3
Surface Area 331.61 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,3r,5r,6r)-2-amino-3-(3,4-dichlorobenzyl)oxy-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • (1r,2r,3r,5r,6r)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluoro-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
  • (1r,2r,3r,5r,6r)-2-amino-3-[(3,4-dichlorophenyl)methoxy]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
InChIKey LFAGGDAZZKUVKO-JAGWWQSPSA-N
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Elements C F H Cl O N