Geometry & MOs

Info

ID:	88355
PubChem CID:	49903030
Reduced:	NSBr2O3H11C17 (1)
Stoich.:	ABC2D3E11F17 (1)
Weight, g/mol:	476.98817
ΔH_f, kcal/mol:	-55.97
Dipole, Da:	3.06
IP(EA), eV:	-9.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3)O)Br)/SC2=O)Br

DOS

IR

Vibrations