Geometry & MOs

Info

ID:	87170
PubChem CID:	49892839
Reduced:	NSCl2O3H15C22 (1)
Stoich.:	ABC2D3E15F22 (1)
Weight, g/mol:	513.056835
ΔH_f, kcal/mol:	-56.88
Dipole, Da:	5.85
IP(EA), eV:	-8.9(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations