2-{2-[(1-Amino-6-Isoquinolinyl)Carbamoyl]-6-Methoxy-3-Pyridinyl}-5-{[(2S)-1-Hydroxy-3,3-Dimethyl-2-Butanyl]Carbamoyl}Benzoic Acid

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Formula C30H31N5O6
IUPAC Name 2-[2-[(1-amino-6-isoquinolyl)carbamoyl]-6-methoxy-3-pyridyl]-5-[[(1s)-1-(hydroxymethyl)-2,2-dimethyl-propyl]carbamoyl]benzoic acid
Molecular Mass 557.597 g·mol−1
Heat of Formation -766.1 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 654.34 Å 3
Surface Area 534.05 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -1.33 ± eV
Point Group Symmetry C1
InChIKey GCBXPOHPNDVIFD-HSZRJFAPSA-N
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