Geometry & MOs

Info

ID:

87165

PubChem CID:

49892812

Reduced:

NSCl3O4H22C30 (1)

Stoich.:

ABC3D4E22F30 (1)

Weight, g/mol:

619.95751

ΔHf, kcal/mol:

-80.73

Dipole, Da:

3.63

IP(EA), eV:

 -8.81(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-(2-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Cl)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations