Geometry & MOs

Info

ID:	267967
PubChem CID:	103591906
Reduced:	FSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	276.073262
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	5.4
IP(EA), eV:	-8.61(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-3-[1-(furan-2-yl)ethyl]-5-methyl-1H-benzimidazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)[N+](=O)[O-])NCCC(C)S(=O)C

DOS

IR

Vibrations