Geometry & MOs

Info

ID:	124309
PubChem CID:	50878230
Reduced:	OSN2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-39.34
Dipole, Da:	3.88
IP(EA), eV:	-8.25(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-butylbenzimidazol-2-yl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CCCC1C(=O)NC2=C(S1)C=CC(=C2)N

DOS

IR

Vibrations