Geometry & MOs

Info

ID:

215493

PubChem CID:

85084814

Reduced:

N10O12C47H62 (1)

Stoich.:

A10B12C47D62 (1)

Weight, g/mol:

958.369013

ΔHf, kcal/mol:

-434.44

Dipole, Da:

15.97

IP(EA), eV:

 -8.65(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[3-hydroxy-4-trityloxy-5-(trityloxymethyl)oxolan-2-yl]-6-[2-(4-nitrophenyl)ethoxy]purin-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(CC3=CC=CC=C3)NCC4=CC=CC=C4N

DOS

IR

Vibrations