Geometry & MOs

Info

ID:

87322

PubChem CID:

49894024

Reduced:

NS2O6H23C26 (1)

Stoich.:

AB2C6D23E26 (1)

Weight, g/mol:

581.955539

ΔHf, kcal/mol:

-163.09

Dipole, Da:

6.8

IP(EA), eV:

 -8.78(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3,5-dichloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OC)/SC2=O

DOS

IR

Vibrations