Geometry & MOs

Info

ID:	171223
PubChem CID:	75345202
Reduced:	NSCl3O4H14C22 (1)
Stoich.:	ABC3D4E14F22 (1)
Weight, g/mol:	496.96993
ΔH_f, kcal/mol:	-87.14
Dipole, Da:	4.58
IP(EA), eV:	-8.93(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-[2-(2-chlorophenoxy)ethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCCN2C(=O)C(=CC3=CC=C(O3)C4=C(C(=CC=C4)Cl)Cl)SC2=O)Cl

DOS

IR

Vibrations