Geometry & MOs

Info

ID:	378827
PubChem CID:	134224928
Reduced:	SF3O3N7C19H20 (1)
Stoich.:	AB3C3D7E19F20 (1)
Weight, g/mol:	292.143645
ΔH_f, kcal/mol:	-182.05
Dipole, Da:	7.85
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-2-[[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]amino]butanenitrile

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CC(C1)(C(=O)NCC(F)(F)F)NC2=NC(=NC=C2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations