Geometry & MOs

Info

ID:	87855
PubChem CID:	49898000
Reduced:	NCl2S2O4H23C30 (1)
Stoich.:	AB2C2D4E23F30 (1)
Weight, g/mol:	481.015364
ΔH_f, kcal/mol:	-65.74
Dipole, Da:	6.0
IP(EA), eV:	-8.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)OCCSC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations