Geometry & MOs

Info

ID:	88430
PubChem CID:	49903500
Reduced:	BrSN3O8H14C24 (1)
Stoich.:	ABC3D8E14F24 (1)
Weight, g/mol:	470.87625
ΔH_f, kcal/mol:	-68.9
Dipole, Da:	3.55
IP(EA), eV:	-9.69(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-bromo-2-fluorophenyl)methylidene]-3-[(2-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations