Geometry & MOs

Info

ID:

313610

PubChem CID:

126616609

Reduced:

ClS2F3N4O4H24C27 (1)

Stoich.:

AB2C3D4E4F24G27 (1)

Weight, g/mol:

712.124473

ΔHf, kcal/mol:

-227.37

Dipole, Da:

8.83

IP(EA), eV:

 -9.39(-1.14)

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-fluorobenzamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=C(N2C3CC4CCC(C3)N4S(=O)(=O)C(F)(F)F)C(=O)O)C(C5=CC=C(C=C5)Cl)C6=NC=CS6

DOS

IR

Vibrations