Geometry & MOs

Info

ID:

170493

PubChem CID:

75241621

Reduced:

N2O61C76H128 (1)

Stoich.:

A2B61C76D128 (1)

Weight, g/mol:

467.084214

ΔHf, kcal/mol:

-2728.48

Dipole, Da:

3.26

IP(EA), eV:

 -9.88(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)OC1C(C(C(C(O1)CO)O)O)O)OC1C(C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)NC(=O)C

DOS

IR

Vibrations