Geometry & MOs

Info

ID:	172887
PubChem CID:	75566100
Reduced:	FSN3O3H28C29 (1)
Stoich.:	ABC3D3E28F29 (1)
Weight, g/mol:	437.157326
ΔH_f, kcal/mol:	-58.65
Dipole, Da:	4.74
IP(EA), eV:	-8.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoroanilino)-5-[(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)F)C=C3C(=O)N(C(=NC4=CC=C(C=C4)OC)S3)CC5=CC=CO5)C)(C)C

DOS

IR

Vibrations