Geometry & MOs

Info

ID:	87153
PubChem CID:	49892690
Reduced:	SCl2N2O4H10C17 (1)
Stoich.:	AB2C2D4E10F17 (1)
Weight, g/mol:	465.080157
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	6.8
IP(EA), eV:	-9.64(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(3-methoxy-2-phenylmethoxyphenyl)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=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations