Geometry & MOs

Info

ID:

132359

PubChem CID:

51348253

Reduced:

N4O4H24C27 (1)

Stoich.:

A4B4C24D27 (1)

Weight, g/mol:

569.250393

ΔHf, kcal/mol:

12.28

Dipole, Da:

19.76

IP(EA), eV:

 -7.85(-1.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-2-methylpropan-2-yl]oxycarbonyloxymethyl acetate

Drug info:

PubChemData

Smile

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)CC(=O)[O-])/C(=C/[N+]#N)/[O-]

DOS

IR

Vibrations