Geometry & MOs

Info

ID:	54113
PubChem CID:	14720231
Reduced:	N2F3O6H9C14 (1)
Stoich.:	A2B3C6D9E14 (1)
Weight, g/mol:	403.138819
ΔH_f, kcal/mol:	-307.2
Dipole, Da:	6.89
IP(EA), eV:	-9.44(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(ethyldisulfanyl)methyl]-4-(3-methoxypropoxy)-3-methylpyridin-1-ium-1-yl]benzimidazol-1-ide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)NC(=O)C2=C(C(=C(C=C2O)O)[N+](=O)[O-])O

DOS

IR

Vibrations