Geometry & MOs

Info

ID:	440432
PubChem CID:	135230409
Reduced:	SO2N7H15C17 (1)
Stoich.:	AB2C7D15E17 (1)
Weight, g/mol:	308.073182
ΔH_f, kcal/mol:	98.3
Dipole, Da:	4.07
IP(EA), eV:	-9.09(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(pyridin-2-ylmethylsulfanyl)benzimidazol-1-yl]-1,2-oxazole

Drug info:

PubChemData

Smile

CN1C(=NN=N1)N2C3=CC=CC=C3N=C2SCC4=NC(=CC=C4)C(=O)OC

DOS

IR

Vibrations