Geometry & MOs

Info

ID:

169465

PubChem CID:

75106258

Reduced:

Cl4N5C17H19 (1)

Stoich.:

A4B5C17D19 (1)

Weight, g/mol:

786.281172

ΔHf, kcal/mol:

-8.68

Dipole, Da:

3.58

IP(EA), eV:

 -9.01(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[5-carbamimidoyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]carbamoyl]benzoic acid;dihydrochloride

Drug info:

PubChemData

Smile

CC1=C2C(=NC=C1)CC(CC2=NN=C(N)N)C3=C(C=CC=C3Cl)Cl.Cl.Cl

DOS

IR

Vibrations