Geometry & MOs

Info

ID:	88000
PubChem CID:	49899546
Reduced:	SCl2N2O5H22C27 (1)
Stoich.:	AB2C2D5E22F27 (1)
Weight, g/mol:	658.80826
ΔH_f, kcal/mol:	-130.04
Dipole, Da:	3.7
IP(EA), eV:	-8.89(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)Cl)OC

DOS

IR

Vibrations