Geometry & MOs

Info

ID:	172852
PubChem CID:	75560893
Reduced:	SO2N4C30H38 (1)
Stoich.:	AB2C4D30E38 (1)
Weight, g/mol:	439.148511
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	5.0
IP(EA), eV:	-8.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=CC2=CC3=C(C=C2C)N(C(CC3C)(C)C)C)SC1=NC4=CC=C(C=C4)N5CCOCC5

DOS

IR

Vibrations