Geometry & MOs

Info

ID:

123766

PubChem CID:

50861085

Reduced:

ClSO2N3H30C31 (1)

Stoich.:

ABC2D3E30F31 (1)

Weight, g/mol:

467.179812

ΔHf, kcal/mol:

-5.6

Dipole, Da:

10.02

IP(EA), eV:

 -8.49(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5E)-5-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-(3,5-dimethylanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C(CC1(C)C)C

DOS

IR

Vibrations