Geometry & MOs

Info

ID:

215146

PubChem CID:

85084260

Reduced:

N2O10C41H46 (1)

Stoich.:

A2B10C41D46 (1)

Weight, g/mol:

725.221831

ΔHf, kcal/mol:

-277.09

Dipole, Da:

5.64

IP(EA), eV:

 -9.38(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[9-phenoxycarbothioyloxy-2,2,4,4-tetra(propan-2-yloxy)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5H-purin-6-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(C(O2)NC3=NC4C(O3)C(C(C4(CO)O)O)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

DOS

IR

Vibrations