Geometry & MOs

Info

ID:	123957
PubChem CID:	50867460
Reduced:	FN2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	374.146427
ΔH_f, kcal/mol:	29.54
Dipole, Da:	7.76
IP(EA), eV:	-8.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-ethyl-5-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)F)/C=C(/C#N)\C3=CC=CC=C3)C(=CC1(C)C)C

DOS

IR

Vibrations