Geometry & MOs

Info

ID:

87063

PubChem CID:

49891472

Reduced:

FN2S2O8H17C24 (1)

Stoich.:

AB2C2D8E17F24 (1)

Weight, g/mol:

549.071608

ΔHf, kcal/mol:

-185.0

Dipole, Da:

7.84

IP(EA), eV:

 -8.9(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] naphthalene-1-sulfonate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations