Geometry & MOs

Info

ID:

228539

PubChem CID:

87565250

Reduced:

O6N7C72H77 (1)

Stoich.:

A6B7C72D77 (1)

Weight, g/mol:

574.294391

ΔHf, kcal/mol:

-84.45

Dipole, Da:

10.0

IP(EA), eV:

 -8.69(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-2-(dibenzylamino)-4-(2-oxo-3H-benzimidazol-1-yl)-3-(3-phenylpropyl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN([C@@H](C([C@H]1N2C3=CC=CC=C3NC2=O)CCCC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6)C(=O)O.C1CN(C(CC1N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)CCCN(CC4=CC=CC=C4)CC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations