Geometry & MOs

Info

ID:

86666

PubChem CID:

49888348

Reduced:

ClINS2O6H17C24 (1)

Stoich.:

ABCD2E6F17G24 (1)

Weight, g/mol:

584.01722

ΔHf, kcal/mol:

-128.21

Dipole, Da:

4.89

IP(EA), eV:

 -9.25(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)I)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations