Geometry & MOs

Info

ID:	172866
PubChem CID:	75561988
Reduced:	Br2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	539.224263
ΔH_f, kcal/mol:	-22.71
Dipole, Da:	3.67
IP(EA), eV:	-7.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[(1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations