Geometry & MOs

Info

ID:	171151
PubChem CID:	75336679
Reduced:	N2S2O9H14C19 (1)
Stoich.:	A2B2C9D14E19 (1)
Weight, g/mol:	529.014677
ΔH_f, kcal/mol:	-217.0
Dipole, Da:	3.39
IP(EA), eV:	-9.38(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chloro-4-fluorophenyl)methyl]-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)CN1C(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC1=O

DOS

IR

Vibrations