Geometry & MOs

Info

ID:

86919

PubChem CID:

49889993

Reduced:

INS2Cl3O6H15C24 (1)

Stoich.:

ABC2D3E6F15G24 (1)

Weight, g/mol:

531.011027

ΔHf, kcal/mol:

-151.07

Dipole, Da:

3.88

IP(EA), eV:

 -9.18(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-chloro-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)I)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations