Geometry & MOs

Info

ID:

228538

PubChem CID:

87565249

Reduced:

NSC5O5H13 (1)

Stoich.:

ABC5D5E13 (1)

Weight, g/mol:

1135.593533

ΔHf, kcal/mol:

-209.46

Dipole, Da:

14.1

IP(EA), eV:

 -10.19(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(N-benzoylanilino)-2-[3-(dibenzylamino)propyl]piperidine-1-carboxylic acid;(2S,4S)-2-(dibenzylamino)-4-(2-oxo-3H-benzimidazol-1-yl)-3-(3-phenylpropyl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC=O.C=CCOS(=O)(=O)[O-].[NH4+]

DOS

IR

Vibrations