Geometry & MOs

Info

ID:

215365

PubChem CID:

85084619

Reduced:

N13O13C33H59 (1)

Stoich.:

A13B13C33D59 (1)

Weight, g/mol:

848.414428

ΔHf, kcal/mol:

-608.77

Dipole, Da:

12.15

IP(EA), eV:

 -9.54(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-N-[9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]-4-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations