Geometry & MOs

Info

ID:

334900

PubChem CID:

127253706

Reduced:

N5O8C26H29 (1)

Stoich.:

A5B8C26D29 (1)

Weight, g/mol:

456.23727

ΔHf, kcal/mol:

-210.0

Dipole, Da:

12.45

IP(EA), eV:

 -8.22(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2C(=O)[C@@H](NC2=O)CC(=O)N3C[C@H]4C[C@@H](C3)C5=CC=C(C(=O)N5C4)[N+](=O)[O-])OC

DOS

IR

Vibrations