Geometry & MOs

Info

ID:	299957
PubChem CID:	118043411
Reduced:	ClO3N5H22C24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	332.13204
ΔH_f, kcal/mol:	35.57
Dipole, Da:	3.79
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanethiol

Drug info:

PubChemData

Smile

CONC(=O)C1=CC(=C(C=C1)Cl)C2=CC3=CN=C(N=C3C=C2)N[C@@H]4CCC[C@@H]4NC(=O)C#C

DOS

IR

Vibrations