Geometry & MOs

Info

ID:	426776
PubChem CID:	135153823
Reduced:	FSN3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	249.012746
ΔH_f, kcal/mol:	44.07
Dipole, Da:	1.45
IP(EA), eV:	-9.27(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)pyrimidine-4-carbothioamide

Drug info:

PubChemData

Smile

CSC(=NC1=CC(=CC=C1)F)C2=NC=NC=C2

DOS

IR

Vibrations