Geometry & MOs

Info

ID:

221681

PubChem CID:

85285920

Reduced:

NO9C32H45 (1)

Stoich.:

AB9C32D45 (1)

Weight, g/mol:

587.286314

ΔHf, kcal/mol:

-363.53

Dipole, Da:

5.34

IP(EA), eV:

 -9.18(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[[9-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-yl]carbamoylamino]hexyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)OC1=CC(C2CC3C4(C(CC(=O)O3)C(=C(C(=O)C4C2(C1=O)C)OC)C)C)C)NOC(=O)C(C)(C)C

DOS

IR

Vibrations