Geometry & MOs

Info

ID:	86558
PubChem CID:	49887101
Reduced:	NCl2S2O5H15C23 (1)
Stoich.:	AB2C2D5E15F23 (1)
Weight, g/mol:	555.050313
ΔH_f, kcal/mol:	-130.27
Dipole, Da:	1.22
IP(EA), eV:	-9.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations