Oclacitinib

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Properties Simple | Detailed

Formula C15H23N5O2S
IUPAC Name n-methyl-1-[4-[methyl(pyrrolo[2,3-d]pyrimidin-7-ium-4-ylium-4-yl)amino]cyclohexyl]methanesulfonamide
Molecular Mass 337.440 g·mol−1
Heat of Formation -179.8 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 394.22 Å 3
Surface Area 340.75 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 2.93 ± eV
Point Group Symmetry C1
InChIKey HJWLJNBZVZDLAQ-TXEJJXNPSA-N
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