Geometry & MOs

Info

ID:

435409

PubChem CID:

135191388

Reduced:

N3O6C22H27 (1)

Stoich.:

A3B6C22D27 (1)

Weight, g/mol:

439.210721

ΔHf, kcal/mol:

-115.52

Dipole, Da:

5.34

IP(EA), eV:

 -9.2(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(2S,5E)-3-(cyclopropylmethyl)-8-methoxy-1-oxo-2,4-dihydro-3-benzazocin-2-yl]-8-hydroxy-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

COC1=C2C3=C(C=C1)[C@H]([C@@H]4[C@]5([C@]3(CCN4CC6CC6)C(O2)C(=O)NC(=O)NCC5)O)O

DOS

IR

Vibrations