Geometry & MOs

Info

ID:

188747

PubChem CID:

77761012

Reduced:

N4O6C35H42 (1)

Stoich.:

A4B6C35D42 (1)

Weight, g/mol:

592.261862

ΔHf, kcal/mol:

-103.36

Dipole, Da:

2.9

IP(EA), eV:

 -8.38(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

formic acid;2-[2-[2-(1-methylimidazol-4-yl)ethylamino]-6-(2-phenylethylamino)purin-9-yl]-5-(2-methyltetrazol-5-yl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CN(CC1=CC(=NC=C1)C2=CC(=C(C(=C2)OC)OC)OC)C3CCN(C3)CC4=C(N=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC

DOS

IR

Vibrations