2-{[3-(3,4-Dihydro-2(1H)-Isoquinolinylsulfonyl)Benzoyl]Amino}Benzoic Acid

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Formula C23H20N2O5S
IUPAC Name 2-[[3-[[(2r)-3,4-dihydro-1h-isoquinolin-2-yl]sulfonyl]benzoyl]amino]benzoic acid
Molecular Mass 436.480 g·mol−1
Heat of Formation -580.3 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 480.09 Å 3
Surface Area 398.95 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey GYILVHHTCYNIOS-UHFFFAOYSA-N
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