Geometry & MOs

Info

ID:

233666

PubChem CID:

91148446

Reduced:

ClSN3O5C27H30 (1)

Stoich.:

ABC3D5E27F30 (1)

Weight, g/mol:

648.332508

ΔHf, kcal/mol:

-143.26

Dipole, Da:

4.56

IP(EA), eV:

 -8.64(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-tert-butyl-2-(6-methylpyridin-3-yl)pyrazol-3-yl]-3-[4-[4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]phenyl]naphthalen-1-yl]urea

Drug info:

PubChemData

Smile

CCOC(=O)C(CS(=O)(=O)C1=CC=CC=C1Cl)NC2=CC(=CC(=C2)C)OCCC3=CC=C(C=C3)C(=N)N

DOS

IR

Vibrations