Geometry & MOs

Info

ID:

222958

PubChem CID:

85333481

Reduced:

ClN2O7C41H47 (1)

Stoich.:

AB2C7D41E47 (1)

Weight, g/mol:

724.058406

ΔHf, kcal/mol:

-229.65

Dipole, Da:

5.21

IP(EA), eV:

 -8.72(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-(phenylcarbamoyloxy)oxolan-3-yl] N-phenylcarbamate

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)OC(CC=CC(=O)CC(C(=O)NC(CC(=O)N1)C2=CC=CC=C2)CC3=CC(=C(C=C3)OC)Cl)C(C)C4C(O4)C5=CC=CC=C5

DOS

IR

Vibrations