Geometry & MOs

Info

ID:

49845

PubChem CID:

11533949

Reduced:

SN3O3C32H33 (1)

Stoich.:

AB3C3D32E33 (1)

Weight, g/mol:

480.210959

ΔHf, kcal/mol:

-30.37

Dipole, Da:

4.17

IP(EA), eV:

 -7.9(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2Z,5Z)-3-ethyl-2-[(1-ethylquinolin-1-ium-4-yl)methylidene]-5-[(2E)-2-(1-ethylquinolin-2-ylidene)ethylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1/C(=C/C=C\2/C(=O)N(/C(=C/C3=CC=[N+](C4=CC=CC=C34)CC)/S2)CC)/C=CC5=CC=CC=C51.CC(=O)[O-]

DOS

IR

Vibrations