Geometry & MOs

Info

ID:	262406
PubChem CID:	103291473
Reduced:	ClSF3N3H9C12 (1)
Stoich.:	ABC3D3E9F12 (1)
Weight, g/mol:	307.090997
ΔH_f, kcal/mol:	-105.03
Dipole, Da:	5.15
IP(EA), eV:	-9.25(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-chlorophenyl)methylsulfanyl]-N-methyl-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSC2=NC(=NC(=C2)C(F)(F)F)N)Cl

DOS

IR

Vibrations