Geometry & MOs

Info

ID:

87865

PubChem CID:

49898082

Reduced:

SCl2N2O5H26C29 (1)

Stoich.:

AB2C2D5E26F29 (1)

Weight, g/mol:

540.067734

ΔHf, kcal/mol:

-146.09

Dipole, Da:

2.32

IP(EA), eV:

 -8.63(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=C(C=C3)Cl)Cl)OCC(=O)NC4=C(C=C(C=C4)C)C

DOS

IR

Vibrations