Geometry & MOs

Info

ID:

336976

PubChem CID:

127256541

Reduced:

PN2Na2O10C12H15 (1)

Stoich.:

AB2C2D10E12F15 (1)

Weight, g/mol:

380.062082

ΔHf, kcal/mol:

-591.88

Dipole, Da:

14.38

IP(EA), eV:

 -8.55(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(CC(=O)[O-])[O-])O)O.[Na+].[Na+]

DOS

IR

Vibrations