Geometry & MOs

Info

ID:

232559

PubChem CID:

87576420

Reduced:

O6N8C61H68 (1)

Stoich.:

A6B8C61D68 (1)

Weight, g/mol:

484.247441

ΔHf, kcal/mol:

-92.98

Dipole, Da:

10.17

IP(EA), eV:

 -8.77(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-[3-(dibenzylamino)propyl]-3-(2-oxo-3H-benzimidazol-1-yl)pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN([C@H]([C@H]1N2C3=CC=CC=C3NC2=O)CCCN(CC4=CC=CC=C4)CC5=CC=CC=C5)C(=O)O.C1CC2C(C(CC1N2C(=O)O)N3C4=CC=CC=C4NC3=O)CCCN(CC5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations