Geometry & MOs

Info

ID:

227119

PubChem CID:

87560267

Reduced:

ClS2O8N9C43H46 (1)

Stoich.:

AB2C8D9E43F46 (1)

Weight, g/mol:

462.112854

ΔHf, kcal/mol:

-123.7

Dipole, Da:

14.2

IP(EA), eV:

 -9.2(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(benzenesulfonyl)-1-(2-chloropyridin-3-yl)pyrazol-3-yl]methyl-(2,2-dimethylpropyl)carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)CN(CC1=NN(C(=C1)S(=O)(=O)C2=CC=CC=C2)C3=C(N=CC=C3)C#N)C(=O)O.CC(C)(C)CN(CC1=NN(C(=C1)S(=O)(=O)C2=CC=CC=C2)C3=C(N=CC=C3)Cl)C(=O)O

DOS

IR

Vibrations