Geometry & MOs

Info

ID:

87922

PubChem CID:

49898629

Reduced:

SN2O4H22C30 (1)

Stoich.:

AB2C4D22E30 (1)

Weight, g/mol:

581.955539

ΔHf, kcal/mol:

-15.5

Dipole, Da:

6.05

IP(EA), eV:

 -8.9(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OCC5=CC=CC=C5C#N

DOS

IR

Vibrations