2-[(1-Amino-6-Isoquinolinyl)Amino]-2-(3-Ethoxy-4-Isopropoxyphenyl)-N-(3-Sulfamoylbenzyl)Acetamide

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Formula C29H33N5O5S
IUPAC Name (2r)-2-[(1-amino-6-isoquinolyl)amino]-2-(3-ethoxy-4-isopropoxy-phenyl)-n-[(3-sulfamoylphenyl)methyl]acetamide
Molecular Mass 563.668 g·mol−1
Heat of Formation -541.7 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 674.18 Å 3
Surface Area 507.75 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.40 ± eV
Point Group Symmetry C1
InChIKey SPHDBMSKHYVTNQ-HHHXNRCGSA-N
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