Geometry & MOs

Info

ID:	87124
PubChem CID:	49892550
Reduced:	NSCl2O4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	437.025535
ΔH_f, kcal/mol:	-117.21
Dipole, Da:	4.3
IP(EA), eV:	-8.64(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations