Geometry & MOs

Info

ID:	124079
PubChem CID:	50872033
Reduced:	ClN2S2O5H17C24 (1)
Stoich.:	AB2C2D5E17F24 (1)
Weight, g/mol:	462.088557
ΔH_f, kcal/mol:	-3.21
Dipole, Da:	6.98
IP(EA), eV:	-8.85(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[3-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC(=CC=C3)Cl)OCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations