Geometry & MOs

Info

ID:

415650

PubChem CID:

135088649

Reduced:

N3O3C18H23 (2)

Stoich.:

A3B3C18D23 (2)

Weight, g/mol:

383.173273

ΔHf, kcal/mol:

-212.48

Dipole, Da:

1.42

IP(EA), eV:

 -9.08(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)CC3=C(OC(=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations