Geometry & MOs

Info

ID:	123897
PubChem CID:	50864444
Reduced:	SN3O3C26H27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	407.146762
ΔH_f, kcal/mol:	-55.07
Dipole, Da:	10.56
IP(EA), eV:	-8.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC4=C(C=C3)N(C(C=C4C)(C)C)C)/C(=O)NC2=S

DOS

IR

Vibrations