Geometry & MOs

Info

ID:	329259
PubChem CID:	126733447
Reduced:	SF2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	359.192152
ΔH_f, kcal/mol:	-13.28
Dipole, Da:	2.37
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-2,2-dimethylhexan-3-yl]-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)NSCCNC1=NC(=NC=C1F)C2=CNC3=C2C=C(C=N3)F

DOS

IR

Vibrations