Geometry & MOs

Info

ID:

226968

PubChem CID:

87559279

Reduced:

ClSO3N4C22H25 (2)

Stoich.:

ABC3D4E22F25 (2)

Weight, g/mol:

476.128504

ΔHf, kcal/mol:

-119.31

Dipole, Da:

10.85

IP(EA), eV:

 -9.14(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-(2-methylpyridin-4-yl)sulfonylpyrazol-3-yl]methyl-(2,2-dimethylpropyl)carbamic acid

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)SC2=CC(=NN2C3=CC=CC=C3Cl)CN(CC(C)(C)C)C(=O)O.CC1=NC=CC(=C1)S(=O)(=O)C2=CC(=NN2C3=CC=CC=C3Cl)CN(CC(C)(C)C)C(=O)O

DOS

IR

Vibrations