6-(Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-(1-Methyl-5-{[5-(4-Morpholinylcarbonyl)-2-Pyridinyl]Amino}-6-Oxo-1,6-Dihydro-3-Pyridinyl)Phenyl]-1(2H)-Isoquinolinone

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Properties Simple | Detailed

Formula C34H33FN6O5++
IUPAC Name 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-pyridin-1-ium-5-ylium-3-yl]phenyl]isoquinolin-1-one
Molecular Mass 624.661 g·mol−1
Heat of Formation -566.5 ± 16.7 kJ·mol−1
Dipole Moment 13.44 ± 1.08 D
Volume 711.24 Å 3
Surface Area 594.14 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey PCVMXQPADBQRFE-UHFFFAOYSA-N
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