Geometry & MOs

Info

ID:	329264
PubChem CID:	126733476
Reduced:	SF2N6C16H18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	362.112522
ΔH_f, kcal/mol:	-3.74
Dipole, Da:	2.3
IP(EA), eV:	-8.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations