Geometry & MOs

Info

ID:

449769

PubChem CID:

135301286

Reduced:

N3O6C32H57 (1)

Stoich.:

A3B6C32D57 (1)

Weight, g/mol:

480.247166

ΔHf, kcal/mol:

-330.55

Dipole, Da:

3.05

IP(EA), eV:

 -8.78(0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[2-[3-[2-[[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]amino]ethoxy]-4-methoxyphenyl]-2-oxoacetyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](CCC(=O)NCCNC(=C)CNC)C[C@@H]1CC[C@H]([C@@H](C1)OC)OC(=O)CCC(=O)OC2CCCCCCCC2

DOS

IR

Vibrations