Geometry & MOs

Info

ID:

312085

PubChem CID:

126602720

Reduced:

FSN4O4H27C32 (1)

Stoich.:

ABC4D4E27F32 (1)

Weight, g/mol:

633.16576

ΔHf, kcal/mol:

-71.09

Dipole, Da:

3.4

IP(EA), eV:

 -8.78(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-amino-3-(3,5-difluorophenyl)-7-fluorobenzimidazol-5-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=CN5C6=CC=C(C=C6)F)N=C4)C(=O)NC

DOS

IR

Vibrations