Geometry & MOs

Info

ID:

384562

PubChem CID:

134977222

Reduced:

N2P3C11O14H15 (1)

Stoich.:

A2B3C11D14E15 (1)

Weight, g/mol:

496.004914

ΔHf, kcal/mol:

-737.38

Dipole, Da:

5.32

IP(EA), eV:

 -9.78(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(CP(=O)([O-])[O-])[O-])O)O

DOS

IR

Vibrations