Geometry & MOs

Info

ID:

315262

PubChem CID:

126625309

Reduced:

N5O8C53H57 (1)

Stoich.:

A5B8C53D57 (1)

Weight, g/mol:

502.246772

ΔHf, kcal/mol:

-226.08

Dipole, Da:

6.03

IP(EA), eV:

 -8.78(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-benzylpiperidin-4-yl)methyl (2S)-2-hydroxy-2-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-2-phenylacetate

Drug info:

PubChemData

Smile

C1CN(C[C@H]1NC(=O)COC2=CC=CC(=C2)C(C3=CC=CC=C3)C(=O)OCC4CCN(CC4)CC5=CC=CC=C5)C(=O)C6=CC=C(C=C6)CCNC[C@@H](C7=C8C=CC(=O)NC8=C(C=C7)O)O

DOS

IR

Vibrations