Geometry & MOs

Info

ID:	385135
PubChem CID:	134978387
Reduced:	O2Si3C25H42 (1)
Stoich.:	A2B3C25D42 (1)
Weight, g/mol:	522.990661
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	3.05
IP(EA), eV:	-8.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl diphosphono phosphate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1=CC(=CC(=C1)C#CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations