Geometry & MOs

Info

ID:	88013
PubChem CID:	49899745
Reduced:	INSCl2O3H12C21 (1)
Stoich.:	ABCD2E3F12G21 (1)
Weight, g/mol:	688.89973
ΔH_f, kcal/mol:	-26.05
Dipole, Da:	3.33
IP(EA), eV:	-9.0(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenyl] benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC=C(C=C4)I)/SC2=O)Cl

DOS

IR

Vibrations