Geometry & MOs

Info

ID:	19432
PubChem CID:	563607
Reduced:	FSN3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	249.073597
ΔH_f, kcal/mol:	7.38
Dipole, Da:	1.11
IP(EA), eV:	-8.83(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzylsulfanyl-5-fluoro-2-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=C(C(=N1)SCC2=CC=CC=C2)F)N

DOS

IR

Vibrations