Geometry & MOs

Info

ID:	87134
PubChem CID:	49892593
Reduced:	NSO2Cl3H10C17 (1)
Stoich.:	ABC2D3E10F17 (1)
Weight, g/mol:	546.94113
ΔH_f, kcal/mol:	-43.55
Dipole, Da:	2.8
IP(EA), eV:	-9.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations