6-(1,1-Dioxido-4-Thiomorpholinyl)-N-(3-Methoxyphenyl)-1-Methyl-1H-Pyrazolo[3,4-D]Pyrimidin-4-Amine

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Formula C17H20N6O3S
IUPAC Name 6-(1,1-dioxo-1,4-thiazinan-4-yl)-n-(3-methoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-amine
Molecular Mass 388.444 g·mol−1
Heat of Formation -69.0 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 431.84 Å 3
Surface Area 373.74 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey IDYJWHSIWMIDKD-UHFFFAOYSA-N
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