Geometry & MOs

Info

ID:

384886

PubChem CID:

134977867

Reduced:

P2N10O15C20H24 (1)

Stoich.:

A2B10C15D20E24 (1)

Weight, g/mol:

626.077488

ΔHf, kcal/mol:

-528.36

Dipole, Da:

15.78

IP(EA), eV:

 -8.98(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Drug info:

PubChemData

Smile

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5NC(=NC6=O)N)O)O)O)O)NC(=NC2=O)N

DOS

IR

Vibrations