Geometry & MOs

Info

ID:

87209

PubChem CID:

49893140

Reduced:

ClSO2N3H7C12 (2)

Stoich.:

ABC2D3E7F12 (2)

Weight, g/mol:

598.109599

ΔHf, kcal/mol:

81.75

Dipole, Da:

7.13

IP(EA), eV:

 -9.48(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]-N-(2-propan-2-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)SC3=C(C=C(C=C3)/C=C\4/C(=O)N(C(=O)S4)CC5=C(C=C(C=C5)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations