Geometry & MOs

Info

ID:

88386

PubChem CID:

49903165

Reduced:

BrClNSO3H19C28 (1)

Stoich.:

ABCDE3F19G28 (1)

Weight, g/mol:

647.99827

ΔHf, kcal/mol:

-18.45

Dipole, Da:

2.52

IP(EA), eV:

 -8.9(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC(=C(C=C4)OCC5=CC=C(C=C5)Cl)Br)/SC3=O

DOS

IR

Vibrations