Geometry & MOs

Info

ID:	18325
PubChem CID:	539647
Reduced:	SN2O3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	288.056863
ΔH_f, kcal/mol:	-48.64
Dipole, Da:	6.07
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=O)O)CSC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations