Geometry & MOs

Info

ID:	87875
PubChem CID:	49898230
Reduced:	SCl2N2O5H12C21 (1)
Stoich.:	AB2C2D5E12F21 (1)
Weight, g/mol:	514.93605
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	7.66
IP(EA), eV:	-9.1(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-3-[(2,6-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations