Geometry & MOs

Info

ID:

224497

PubChem CID:

85344018

Reduced:

O17C35H35 (1)

Stoich.:

A17B35C35 (1)

Weight, g/mol:

764.374901

ΔHf, kcal/mol:

-670.17

Dipole, Da:

4.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.279772

Charge, e:

 0

Chem-info

IUPAC name:

2-[[9-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]amino]-2-phenylethanol

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2=C([O+]=C3C=C(C=C(C3=C2)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations