Geometry & MOs

Info

ID:	87987
PubChem CID:	49899407
Reduced:	SCl2N2O4H18C25 (1)
Stoich.:	AB2C2D4E18F25 (1)
Weight, g/mol:	590.96735
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	3.69
IP(EA), eV:	-9.11(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations