Geometry & MOs

Info

ID:	123946
PubChem CID:	50867271
Reduced:	ClN2O2C24H27 (1)
Stoich.:	AB2C2D24E27 (1)
Weight, g/mol:	465.164161
ΔH_f, kcal/mol:	-49.0
Dipole, Da:	7.06
IP(EA), eV:	-8.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)C=NC3=C(C=C(C=C3)C(=O)OC)C)C(=CC1(C)C)C

DOS

IR

Vibrations