Geometry & MOs

Info

ID:

123782

PubChem CID:

50861920

Reduced:

ClO2N3C24H30 (1)

Stoich.:

AB2C3D24E30 (1)

Weight, g/mol:

526.240248

ΔHf, kcal/mol:

-47.6

Dipole, Da:

5.39

IP(EA), eV:

 -7.7(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[(1-ethyl-7-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=N\NC(=O)C3=C(C=C(C=C3)C)Cl)C(CC1(C)C)C

DOS

IR

Vibrations