Geometry & MOs

Info

ID:

313612

PubChem CID:

126616620

Reduced:

SCl2O2F3N3H28C30 (1)

Stoich.:

AB2C2D3E3F28G30 (1)

Weight, g/mol:

536.126059

ΔHf, kcal/mol:

-159.26

Dipole, Da:

2.71

IP(EA), eV:

 -9.08(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-[2-cyclopropyl-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]benzimidazol-5-yl]acetonitrile

Drug info:

PubChemData

Smile

C1CC(C1)C2=NC3=C(N2C4CCN(CC4)S(=O)(=O)C(F)(F)F)C=C(C=C3)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations