Geometry & MOs

Info

ID:

219812

PubChem CID:

85164921

Reduced:

SiO4C38H52 (1)

Stoich.:

AB4C38D52 (1)

Weight, g/mol:

601.020764

ΔHf, kcal/mol:

-188.62

Dipole, Da:

1.27

IP(EA), eV:

 -9.08(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;[3,4-dihydroxy-5-[6-(2,2,2-trifluoroethylamino)-2-(3,3,3-trifluoropropylsulfanyl)purin-9-yl]oxolan-2-yl]methyl phosphate

Drug info:

PubChemData

Smile

CCCCCC=CC1C2C1(C(=O)CC2O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)CC=CCCCC(=O)OCC

DOS

IR

Vibrations