Geometry & MOs

Info

ID:

5907

PubChem CID:

14003

Reduced:

P4N5C10O16H17 (1)

Stoich.:

A4B5C10D16E17 (1)

Weight, g/mol:

586.962077

ΔHf, kcal/mol:

-884.75

Dipole, Da:

7.06

IP(EA), eV:

 -9.32(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N

DOS

IR

Vibrations