Geometry & MOs

Info

ID:

15603

PubChem CID:

445453

Reduced:

P4N10C17O17H22 (1)

Stoich.:

A4B10C17D17E22 (1)

Weight, g/mol:

762.011487

ΔHf, kcal/mol:

-871.12

Dipole, Da:

11.4

IP(EA), eV:

 -9.04(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2-amino-4-oxo-1H-pteridin-6-yl)methoxy-hydroxyphosphoryl] [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1=C(N=C2C(=N1)NC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O

DOS

IR

Vibrations