Geometry & MOs

Info

ID:	172883
PubChem CID:	75565806
Reduced:	FN4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	432.151907
ΔH_f, kcal/mol:	60.85
Dipole, Da:	5.41
IP(EA), eV:	-8.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[5-[(7-fluoro-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)F)C=C(C#N)C3=NC4=CC=CC=C4N3)C)(C)C

DOS

IR

Vibrations