Geometry & MOs

Info

ID:	171126
PubChem CID:	75331150
Reduced:	BrSN2O5H17C24 (1)
Stoich.:	ABC2D5E17F24 (1)
Weight, g/mol:	560.80675
ΔH_f, kcal/mol:	-29.36
Dipole, Da:	6.79
IP(EA), eV:	-9.53(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromophenyl)methyl]-5-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C(=CC3=CC(=CC=C3)OCC4=CC=C(C=C4)[N+](=O)[O-])SC2=O)Br

DOS

IR

Vibrations