Geometry & MOs

Info

ID:

222943

PubChem CID:

85333398

Reduced:

OPH24C26 (1)

Stoich.:

ABC24D26 (1)

Weight, g/mol:

698.063886

ΔHf, kcal/mol:

73.83

Dipole, Da:

0.89

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.865629

Charge, e:

 0

Chem-info

IUPAC name:

[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [[5-(2,4-dioxo-1,3-diazinan-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC([C]1[CH][CH][CH][C]1P(C2=CC=CC=C2)C3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations