Geometry & MOs

Info

ID:

222102

PubChem CID:

85294095

Reduced:

NO10C32H35 (1)

Stoich.:

AB10C32D35 (1)

Weight, g/mol:

600.238858

ΔHf, kcal/mol:

-265.47

Dipole, Da:

1.07

IP(EA), eV:

 -9.36(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[9-tert-butylsulfanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-chloropurine

Drug info:

PubChemData

Smile

COC(=O)C(C1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations