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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Elements |
H
C
O
N
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