Geometry & MOs

Info

ID:	378804
PubChem CID:	134224904
Reduced:	SO2F4N6H18C19 (1)
Stoich.:	AB2C4D6E18F19 (1)
Weight, g/mol:	292.143645
ΔH_f, kcal/mol:	-186.16
Dipole, Da:	3.15
IP(EA), eV:	-8.76(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CS(=O)CCC1(C(=O)NCC(F)(F)F)NC2=NC(=NC=C2F)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations