Geometry & MOs

Info

ID:

313613

PubChem CID:

126616626

Reduced:

ClSO2F3N4H24C25 (1)

Stoich.:

ABC2D3E4F24G25 (1)

Weight, g/mol:

695.156546

ΔHf, kcal/mol:

-135.77

Dipole, Da:

3.16

IP(EA), eV:

 -9.2(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]azetidin-1-yl]methyl]benzoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2CC4CCN(CC4)S(=O)(=O)C(F)(F)F)C=C(C=C3)C(C#N)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations