Geometry & MOs

Info

ID:	171053
PubChem CID:	75317838
Reduced:	FSN3O4H16C22 (1)
Stoich.:	ABC3D4E16F22 (1)
Weight, g/mol:	450.98892
ΔH_f, kcal/mol:	-37.85
Dipole, Da:	4.72
IP(EA), eV:	-8.83(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=CC=C2C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4F)[N+](=O)[O-]

DOS

IR

Vibrations