Geometry & MOs

Info

ID:

162412

PubChem CID:

57394582

Reduced:

FO3N4H19C20 (1)

Stoich.:

AB3C4D19E20 (1)

Weight, g/mol:

1215.569957

ΔHf, kcal/mol:

-56.02

Dipole, Da:

3.26

IP(EA), eV:

 -8.52(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-butoxy-3-[3-(2-carbamoyloxy-2-pentoxyethyl)-5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]propan-2-yl] carbamate;[1-butoxy-3-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)propan-2-yl] carbamate;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C[C@]1([C@@H]([C@H](O[C@@H]1N2C=C(C3=C(N=CN=C32)N)C#CC4=CC=CC=C4)CO)O)F

DOS

IR

Vibrations