Geometry & MOs

Info

ID:	87137
PubChem CID:	49892615
Reduced:	INSCl2O6H18C22 (1)
Stoich.:	ABCD2E6F18G22 (1)
Weight, g/mol:	487.016032
ΔH_f, kcal/mol:	-175.28
Dipole, Da:	3.02
IP(EA), eV:	-8.69(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2,4-dichlorophenyl)methyl]-5-[[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I)OCC(=O)OC

DOS

IR

Vibrations