Geometry & MOs

Info

ID:	88041
PubChem CID:	49900099
Reduced:	SCl2N2O7H16C21 (1)
Stoich.:	AB2C2D7E16F21 (1)
Weight, g/mol:	540.9517
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	8.06
IP(EA), eV:	-9.49(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1[N+](=O)[O-])/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OC(=O)C

DOS

IR

Vibrations