Geometry & MOs

Info

ID:	391652
PubChem CID:	135007797
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	796.347215
ΔH_f, kcal/mol:	-169.92
Dipole, Da:	3.84
IP(EA), eV:	-10.25(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-4-(4-butylbenzoyl)oxy-5-[(4-butylbenzoyl)oxymethyl]-2-[6-(4-methoxyphenyl)purin-9-yl]oxolan-3-yl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=N)OC)C(=O)C

DOS

IR

Vibrations