Geometry & MOs

Info

ID:	440472
PubChem CID:	135230451
Reduced:	ClSO2N4H9C12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	292.01856
ΔH_f, kcal/mol:	21.04
Dipole, Da:	3.58
IP(EA), eV:	-9.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropyrimidin-4-yl)-2-methylsulfinylbenzimidazole

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC2=CC=CC=C2N1C3=NC=NC=C3Cl

DOS

IR

Vibrations