Geometry & MOs

Info

ID:

86873

PubChem CID:

49889868

Reduced:

BrNS2Cl3O5H13C23 (1)

Stoich.:

ABC2D3E5F13G23 (1)

Weight, g/mol:

560.013111

ΔHf, kcal/mol:

-129.39

Dipole, Da:

4.78

IP(EA), eV:

 -9.25(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-chloro-2-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)Br)Cl

DOS

IR

Vibrations