Geometry & MOs

Info

ID:	123944
PubChem CID:	50867129
Reduced:	ClO2N3C25H26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	455.123439
ΔH_f, kcal/mol:	-39.6
Dipole, Da:	5.8
IP(EA), eV:	-8.0(-0.9)
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-(4-fluoroanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N(C(=O)N3)CC4=CC=CC=C4)C(=CC1(C)C)C

DOS

IR

Vibrations