Geometry & MOs

Info

ID:	172869
PubChem CID:	75562298
Reduced:	BrO2N3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	497.190376
ΔH_f, kcal/mol:	-31.36
Dipole, Da:	5.75
IP(EA), eV:	-7.5(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)C)C=NNC(=O)C3=C(C=CC(=C3)Br)OC)C(CC1(C)C)C

DOS

IR

Vibrations