Geometry & MOs

Info

ID:

5796

PubChem CID:

13805

Reduced:

P2N4O11C14H27 (1)

Stoich.:

A2B4C11D14E27 (1)

Weight, g/mol:

489.115157

ΔHf, kcal/mol:

-566.59

Dipole, Da:

4.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.752649

Charge, e:

 1

Chem-info

IUPAC name:

2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O

DOS

IR

Vibrations