Geometry & MOs

Info

ID:	148810
PubChem CID:	53788479
Reduced:	NO2F5C28H28 (1)
Stoich.:	AB2C5D28E28 (1)
Weight, g/mol:	404.146644
ΔH_f, kcal/mol:	-311.28
Dipole, Da:	2.39
IP(EA), eV:	-9.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-(1H-benzimidazol-2-yl)-4-(3-methoxypropoxy)-3-methylpyridin-1-ium-2-yl]propane-1,1-dithiol

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(C(C(CC2)CCO)O)C(=C1C(C3=CC=C(C=C3)C(F)(F)F)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations