Geometry & MOs

Info

ID:	172863
PubChem CID:	75561654
Reduced:	ClSN3O3C25H26 (1)
Stoich.:	ABC3D3E25F26 (1)
Weight, g/mol:	465.208613
ΔH_f, kcal/mol:	-75.86
Dipole, Da:	13.89
IP(EA), eV:	-8.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyanilino)-5-[(7-methoxy-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)OC)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl)C)(C)C

DOS

IR

Vibrations