Geometry & MOs

Info

ID:

80252

PubChem CID:

49833738

Reduced:

ClSiN3O5C36H48 (1)

Stoich.:

ABC3D5E36F48 (1)

Weight, g/mol:

643.15432

ΔHf, kcal/mol:

-244.94

Dipole, Da:

8.31

IP(EA), eV:

 -8.5(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-[(1,1-dimethylpiperidin-1-ium-4-yl)oxycarbonylamino]-3-phenylphenyl]propanoylamino]benzoate;hydroiodide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1=CC(=C(C=C1OC)NC(=O)CCC2=CC(=C(C=C2)C3=CC=CC=C3)NC(=O)OC4CCN(CC4)C)Cl

DOS

IR

Vibrations