Formula |
C15H15F2N5O3S |
IUPAC Name |
6-(2,4-difluorophenoxy)-n-[(1s)-1-methyl-2-methylsulfonyl-ethyl]-1h-pyrazolo[3,4-d]pyrimidin-3-amine |
Molecular Mass |
383.373 g·mol−1 |
Heat of Formation |
-444.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.77 ± 1.08 D |
Volume |
404.1 Å 3 |
Surface Area |
364.17 Å 2 |
HOMO Energy |
-8.58 ± 0.55 eV |
LUMO Energy |
-0.91 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BIWWSRSPBBUSCN-QMMMGPOBSA-N |
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Elements |
C
F
H
O
N
S
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