N-{[(3S)-3-Amino-1-(5-Ethyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Yl)-3-Pyrrolidinyl]Methyl}-2,4-Difluorobenzamide

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Formula C20H22F2N6O
IUPAC Name n-[[(3s)-3-amino-1-(5-ethylpyrrolo[2,3-d]pyrimidin-7-ium-4-yl)pyrrolidin-3-yl]methyl]-2,4-difluoro-benzamide
Molecular Mass 400.425 g·mol−1
Heat of Formation -270.7 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 459.81 Å 3
Surface Area 388.28 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
InChIKey MOZRQQTUYAYCQT-FQEVSTJZSA-N
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