(1S)-1-(3-Chlorophenyl)-2-Oxo-2-[(1,3,4-Trioxo-1,2,3,4-Tetrahydro-5-Isoquinolinyl)Amino]Ethyl Acetate

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Formula C19H13ClN2O6
IUPAC Name [(1s)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-5-isoquinolyl)amino]ethyl] acetate
Molecular Mass 400.769 g·mol−1
Heat of Formation -824.7 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 423.13 Å 3
Surface Area 365.07 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
InChIKey OVSAMUIBGQSLDC-INIZCTEOSA-N
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