Geometry & MOs

Info

ID:	171088
PubChem CID:	75326100
Reduced:	NSO3Cl4H11C21 (1)
Stoich.:	ABC3D4E11F21 (1)
Weight, g/mol:	451.041185
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	2.38
IP(EA), eV:	-9.06(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dichlorophenyl)methyl]-5-[(2,4-diethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)SC2=O)Cl

DOS

IR

Vibrations