Geometry & MOs

Info

ID:

225970

PubChem CID:

87246508

Reduced:

SN3O5H22C23 (1)

Stoich.:

AB3C5D22E23 (1)

Weight, g/mol:

298.162768

ΔHf, kcal/mol:

-77.88

Dipole, Da:

3.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.928291

Charge, e:

 0

Chem-info

IUPAC name:

1-hydroperoxyperoxyperoxyperoxydodecane

Drug info:

PubChemData

Smile

CCOC(=O)[N+]1(C=CC2=C1C=CC(=C2)C3=C(SC(=N3)C4=CC=CC=N4)C)OC(=O)OCC

DOS

IR

Vibrations