Geometry & MOs

Info

ID:	172892
PubChem CID:	75566990
Reduced:	Cl2O2N3C23H25 (1)
Stoich.:	A2B2C3D23E25 (1)
Weight, g/mol:	449.193712
ΔH_f, kcal/mol:	-31.54
Dipole, Da:	8.72
IP(EA), eV:	-8.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)C=NNC(=O)COC3=CC(=CC=C3)Cl)C(=CC1(C)C)C

DOS

IR

Vibrations