Geometry & MOs

Info

ID:	123716
PubChem CID:	50859578
Reduced:	FN2C22H23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	437.193712
ΔH_f, kcal/mol:	18.39
Dipole, Da:	8.4
IP(EA), eV:	-8.25(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C(/C#N)\C3=CC=CC=C3)C)(C)C

DOS

IR

Vibrations