Geometry & MOs

Info

ID:

384429

PubChem CID:

134976968

Reduced:

N2P3C12H15O15 (1)

Stoich.:

A2B3C12D15E15 (1)

Weight, g/mol:

523.999829

ΔHf, kcal/mol:

-690.61

Dipole, Da:

2.26

IP(EA), eV:

 -10.03(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4S)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-4-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations