Geometry & MOs

Info

ID:

86820

PubChem CID:

49889536

Reduced:

NSCl3O4H14C24 (1)

Stoich.:

ABC3D4E14F24 (1)

Weight, g/mol:

632.92219

ΔHf, kcal/mol:

-91.65

Dipole, Da:

4.53

IP(EA), eV:

 -9.64(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations