Geometry & MOs

Info

ID:

11263

PubChem CID:

112628

Reduced:

ClSN3O6C36H52 (1)

Stoich.:

ABC3D6E36F52 (1)

Weight, g/mol:

689.326535

ΔHf, kcal/mol:

-272.12

Dipole, Da:

3.89

IP(EA), eV:

 -9.11(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[[1-(2-chloro-4,6-dimethylphenyl)-5-oxo-4H-pyrazol-3-yl]amino]-1-oxobutan-2-yl]oxy-2-pentadecylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(CC)C(=O)NC2=NN(C(=O)C2)C3=C(C=C(C=C3Cl)C)C)S(=O)(=O)O

DOS

IR

Vibrations