Geometry & MOs

Info

ID:

227243

PubChem CID:

87560789

Reduced:

ClOF3N4C14H14 (1)

Stoich.:

ABC3D4E14F14 (1)

Weight, g/mol:

954.277137

ΔHf, kcal/mol:

-99.83

Dipole, Da:

3.45

IP(EA), eV:

 -9.51(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-(6-chloropyridin-3-yl)sulfonyl-1-(5-fluoro-2-methylphenyl)pyrazol-3-yl]-2,2-dimethylpropyl] N-methylcarbamate;2,2-dimethylpropyl-[[1-(5-fluoro-2-methylphenyl)-5-pyridin-3-ylsulfonylpyrazol-3-yl]methyl]carbamic acid

Drug info:

PubChemData

Smile

CCCOCC(=NC1=C(C(=C(C(=C1F)F)Cl)F)C)N2C=NC=N2

DOS

IR

Vibrations