Geometry & MOs

Info

ID:

313642

PubChem CID:

126616780

Reduced:

SCl2F3N3O3H26C29 (1)

Stoich.:

AB2C3D3E3F26G29 (1)

Weight, g/mol:

713.108489

ΔHf, kcal/mol:

-192.54

Dipole, Da:

1.61

IP(EA), eV:

 -9.26(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]piperidin-1-yl]sulfonyl-2-fluorobenzoic acid;hydrochloride

Drug info:

PubChemData

Smile

C=C(CO)C1=NC2=C(N1C3CCN(CC3)S(=O)(=O)C(F)(F)F)C=C(C=C2)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations