Geometry & MOs

Info

ID:

337582

PubChem CID:

127258205

Reduced:

N2O7C14H20 (1)

Stoich.:

A2B7C14D20 (1)

Weight, g/mol:

581.032526

ΔHf, kcal/mol:

-302.22

Dipole, Da:

2.83

IP(EA), eV:

 -9.78(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-(2-methoxyethoxy)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

DOS

IR

Vibrations