Geometry & MOs

Info

ID:	87214
PubChem CID:	49893270
Reduced:	SN2Cl3O4H17C25 (1)
Stoich.:	AB2C3D4E17F25 (1)
Weight, g/mol:	465.056835
ΔH_f, kcal/mol:	-99.83
Dipole, Da:	4.06
IP(EA), eV:	-9.04(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)Cl)OCC(=O)NC4=CC=C(C=C4)Cl)/SC2=O)Cl

DOS

IR

Vibrations