Geometry & MOs

Info

ID:

11972

PubChem CID:

124754

Reduced:

N3P3C10O14H18 (1)

Stoich.:

A3B3C10D14E18 (1)

Weight, g/mol:

497.000163

ΔHf, kcal/mol:

-751.75

Dipole, Da:

4.33

IP(EA), eV:

 -9.87(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[4-(methoxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CONC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations