Geometry & MOs

Info

ID:	177129
PubChem CID:	76137060
Reduced:	SN2O5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	844.362471
ΔH_f, kcal/mol:	-192.23
Dipole, Da:	10.92
IP(EA), eV:	-9.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-9-[4-hydroxy-3-trityloxy-5-(trityloxymethyl)oxolan-2-yl]-2,3-dihydropurin-6-one

Drug info:

PubChemData

Smile

CCCCC(C(=O)O)NC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)CCC

DOS

IR

Vibrations