Geometry & MOs

Info

ID:

87122

PubChem CID:

49892528

Reduced:

NS2Cl3O6H16C24 (1)

Stoich.:

AB2C3D6E16F24 (1)

Weight, g/mol:

580.993663

ΔHf, kcal/mol:

-166.52

Dipole, Da:

6.03

IP(EA), eV:

 -9.28(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-6-ethoxy-4-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations