Geometry & MOs

Info

ID:

87201

PubChem CID:

49893045

Reduced:

SN2Cl3O5H21C27 (1)

Stoich.:

AB2C3D5E21F27 (1)

Weight, g/mol:

647.99827

ΔHf, kcal/mol:

-133.73

Dipole, Da:

0.75

IP(EA), eV:

 -9.21(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl)OC)Cl

DOS

IR

Vibrations