Geometry & MOs

Info

ID:

222139

PubChem CID:

85294651

Reduced:

N6O13C23H46 (1)

Stoich.:

A6B13C23D46 (1)

Weight, g/mol:

921.209565

ΔHf, kcal/mol:

-594.0

Dipole, Da:

6.97

IP(EA), eV:

 -9.28(0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(6-amino-2-oxo-1,6-dihydropyrimidin-3-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxy-4-[2-hydroxy-3-[4-[(2-nitrophenyl)methoxy]phenyl]propanoyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methylphosphonic acid

Drug info:

PubChemData

Smile

C1C(C(C(C(C1NC(=O)C(CC(CN)N)O)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N

DOS

IR

Vibrations