Geometry & MOs

Info

ID:	180198
PubChem CID:	76595317
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	624.33204
ΔH_f, kcal/mol:	-104.89
Dipole, Da:	3.76
IP(EA), eV:	-9.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-[3-[3-[4-[2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N-methylanilino]propyldisulfanyl]propyl]-N-methylaniline

Drug info:

PubChemData

Smile

CCC1(C(OC(C1O)CO)[CH])O

DOS

IR

Vibrations