Geometry & MOs

Info

ID:

87174

PubChem CID:

49892886

Reduced:

INSCl2O5H16C25 (1)

Stoich.:

ABCD2E5F16G25 (1)

Weight, g/mol:

688.89973

ΔHf, kcal/mol:

-101.36

Dipole, Da:

4.15

IP(EA), eV:

 -9.37(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)I)OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations