Geometry & MOs

Info

ID:

214785

PubChem CID:

85083637

Reduced:

IN2O4C30H31 (1)

Stoich.:

AB2C4D30E31 (1)

Weight, g/mol:

608.239476

ΔHf, kcal/mol:

-68.45

Dipole, Da:

3.05

IP(EA), eV:

 -8.69(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[3-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-5H-purin-2-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C(CN(C2=O)C3CC3(COC4=CC=C(C=C4)C)COC5=CC=C(C=C5)C)I

DOS

IR

Vibrations