Geometry & MOs

Info

ID:

49844

PubChem CID:

11533947

Reduced:

FO2N3C34H38 (1)

Stoich.:

AB2C3D34E38 (1)

Weight, g/mol:

539.224263

ΔHf, kcal/mol:

-38.06

Dipole, Da:

3.86

IP(EA), eV:

 -8.52(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

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;acetate

Drug info:

PubChemData

Smile

COCCCN1C=C(C2=CC=CC=C21)CN(C3CC3)C(=O)[C@H]4CNCC[C@@H]4C5=CC=CC(=C5)C6=CC=CC=C6F

DOS

IR

Vibrations