Geometry & MOs

Info

ID:	88051
PubChem CID:	49900223
Reduced:	ISCl2N2O2H17C23 (1)
Stoich.:	ABC2D2E2F17G23 (1)
Weight, g/mol:	534.078298
ΔH_f, kcal/mol:	-5.31
Dipole, Da:	6.16
IP(EA), eV:	-8.79(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations