Geometry & MOs

Info

ID:

87853

PubChem CID:

49897985

Reduced:

ICl2N2S2O8H15C24 (1)

Stoich.:

AB2C2D2E8F15G24 (1)

Weight, g/mol:

538.052084

ΔHf, kcal/mol:

-138.53

Dipole, Da:

3.97

IP(EA), eV:

 -9.4(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(Z)-[3-[(2,6-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)Cl)I)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations