Geometry & MOs

Info

ID:	171245
PubChem CID:	75349194
Reduced:	ClSN3O4H20C28 (1)
Stoich.:	ABC3D4E20F28 (1)
Weight, g/mol:	513.028515
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	6.13
IP(EA), eV:	-8.67(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[[3-[2-(4-chlorophenoxy)ethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzene-1,3-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCCN3C(=O)C(=CC4=CC(=NNC5=CC(=CC=C5)Cl)C=CC4=O)SC3=O

DOS

IR

Vibrations