Geometry & MOs

Info

ID:

313611

PubChem CID:

126616618

Reduced:

FSCl3O3N4H32C35 (1)

Stoich.:

ABC3D3E4F32G35 (1)

Weight, g/mol:

621.123138

ΔHf, kcal/mol:

-92.84

Dipole, Da:

8.71

IP(EA), eV:

 -9.25(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[bis(4-chlorophenyl)methyl]-2-cyclobutyl-1-[1-(trifluoromethylsulfonyl)piperidin-4-yl]benzimidazole

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2C4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)C(=O)N)F)C=C(C=C3)C(C6=CC=C(C=C6)Cl)C7=CC=C(C=C7)Cl.Cl

DOS

IR

Vibrations