6-(2,4-Difluorophenoxy)-N-[(2R)-1-(Methylsulfonyl)-2-Propanyl]-1H-Pyrazolo[3,4-D]Pyrimidin-3-Amine

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Formula C15H15F2N5O3S
IUPAC Name 6-(2,4-difluorophenoxy)-n-[(1r)-1-methyl-2-methylsulfonyl-ethyl]pyrazolo[3,4-d]pyrimidin-3-amine
Molecular Mass 383.373 g·mol−1
Heat of Formation -443.8 ± 16.7 kJ·mol−1
Dipole Moment 9.06 ± 1.08 D
Volume 405.25 Å 3
Surface Area 364.17 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey BIWWSRSPBBUSCN-MRVPVSSYSA-N
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