Geometry & MOs

Info

ID:

223817

PubChem CID:

85335616

Reduced:

F2O4N7C29H37 (1)

Stoich.:

A2B4C7D29E37 (1)

Weight, g/mol:

584.068577

ΔHf, kcal/mol:

-165.06

Dipole, Da:

8.72

IP(EA), eV:

 -8.76(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3CC(NN3)CC(=O)NC4=CC(=CC(=C4)F)F)OCCCN(CCO)C5CCC5

DOS

IR

Vibrations