Geometry & MOs

Info

ID:	440313
PubChem CID:	135230260
Reduced:	SN4C7H7 (2)
Stoich.:	AB4C7D7 (2)
Weight, g/mol:	262.007995
ΔH_f, kcal/mol:	178.12
Dipole, Da:	7.71
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloropyrimidin-4-yl)-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CNC1=NC(=CS1)CSC2=NC3=CC=CC=C3N2C4=NN=NN4C

DOS

IR

Vibrations