Geometry & MOs

Info

ID:

144290

PubChem CID:

53345159

Reduced:

N2O4F5H37C40 (1)

Stoich.:

A2B4C5D37E40 (1)

Weight, g/mol:

418.135114

ΔHf, kcal/mol:

-357.94

Dipole, Da:

9.26

IP(EA), eV:

 -8.94(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-[2-(4-methylsulfonylphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(C(C(F)(F)F)(F)F)O)C5=CC=C(C=C5)C(=O)NC6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)N

DOS

IR

Vibrations