Geometry & MOs

Info

ID:	86972
PubChem CID:	49890292
Reduced:	BrN2S2O8H11C17 (1)
Stoich.:	AB2C2D8E11F17 (1)
Weight, g/mol:	302.95237
ΔH_f, kcal/mol:	-159.93
Dipole, Da:	3.1
IP(EA), eV:	-9.59(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,5-dichloro-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=O)S2)Br)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations