Geometry & MOs

Info

ID:	87250
PubChem CID:	49893441
Reduced:	NSCl3O3H12C21 (1)
Stoich.:	ABC3D3E12F21 (1)
Weight, g/mol:	544.91023
ΔH_f, kcal/mol:	-53.04
Dipole, Da:	3.78
IP(EA), eV:	-9.17(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC(=C4)Cl)Cl)/SC2=O)Cl

DOS

IR

Vibrations