Geometry & MOs

Info

ID:	87237
PubChem CID:	49893400
Reduced:	NCl2S2O6H17C24 (1)
Stoich.:	AB2C2D6E17F24 (1)
Weight, g/mol:	506.90983
ΔH_f, kcal/mol:	-160.56
Dipole, Da:	8.9
IP(EA), eV:	-9.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OS(=O)(=O)C2=CC=CC=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations