Geometry & MOs

Info

ID:

312086

PubChem CID:

126602737

Reduced:

SF3O4N5H26C32 (1)

Stoich.:

AB3C4D5E26F32 (1)

Weight, g/mol:

589.178376

ΔHf, kcal/mol:

-164.0

Dipole, Da:

7.97

IP(EA), eV:

 -8.63(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[1-(4-cyanophenyl)indazol-6-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(4-methylphenyl)-1-benzofuran-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3O2)N(C)S(=O)(=O)C)C4=CC5=C(C(=C4)F)N=C(N5C6=CC(=CC(=C6)F)F)N)C(=O)NC

DOS

IR

Vibrations