Geometry & MOs

Info

ID:

84473

PubChem CID:

49866636

Reduced:

PN3O7C11H16 (2)

Stoich.:

AB3C7D11E16 (2)

Weight, g/mol:

348.07091

ΔHf, kcal/mol:

-656.57

Dipole, Da:

2.23

IP(EA), eV:

 -8.37(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(6-amino-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C[C@H](C1=CN(C=CC1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=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)O)O)O

DOS

IR

Vibrations