Geometry & MOs

Info

ID:

220179

PubChem CID:

85165331

Reduced:

SSiO6C37H66 (1)

Stoich.:

ABC6D37E66 (1)

Weight, g/mol:

667.069305

ΔHf, kcal/mol:

-332.18

Dipole, Da:

4.15

IP(EA), eV:

 -8.86(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(6-aminopurin-9-yl)-4-[[3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]methyl]-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1CCC(C(=CCC(CC(C=CCCOC(=O)C=CC=CCC(C(C1O[Si](C)(C)C(C)(C)C)C)OCSC)OC)C)C)OC

DOS

IR

Vibrations