(1S,2R)-2-{[(1S)-5-Methyl-1-[(1-Oxo-1,3-Dihydro-2H-Isoindol-2-Yl)Methyl]-3,4-Dihydro-2(1H)-Isoquinolinyl]Carbonyl}Cyclohexanecarboxylic Acid

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Formula C27H30N2O4
IUPAC Name (1s,2r)-2-[(1s)-5-methyl-1-[(1-oxoisoindolin-2-yl)methyl]-3,4-dihydro-1h-isoquinoline-2-carbonyl]cyclohexanecarboxylic acid
Molecular Mass 446.538 g·mol−1
Heat of Formation -623.3 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 531.81 Å 3
Surface Area 395.61 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey YTUXAQFRBNUADX-TZRRMPRUSA-N
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