Geometry & MOs

Info

ID:	329258
PubChem CID:	126733414
Reduced:	SF4N6H14C15 (1)
Stoich.:	AB4C6D14E15 (1)
Weight, g/mol:	378.143822
ΔH_f, kcal/mol:	-94.72
Dipole, Da:	0.5
IP(EA), eV:	-9.03(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC2=C1C(=CN2)C3=NC=C(C(=N3)NCCSNCC(F)F)F)F

DOS

IR

Vibrations