Geometry & MOs

Info

ID:	171154
PubChem CID:	75336682
Reduced:	SN3O6H15C20 (1)
Stoich.:	AB3C6D15E20 (1)
Weight, g/mol:	465.94842
ΔH_f, kcal/mol:	-55.34
Dipole, Da:	7.08
IP(EA), eV:	-8.99(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-iodophenyl)methylidene]-3-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)[N+](=O)[O-])OCC#N

DOS

IR

Vibrations