Geometry & MOs

Info

ID:	218494
PubChem CID:	85089532
Reduced:	PS2N5O6C16H20 (1)
Stoich.:	AB2C5D6E16F20 (1)
Weight, g/mol:	477.201219
ΔH_f, kcal/mol:	-244.86
Dipole, Da:	4.34
IP(EA), eV:	-8.99(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-amino-6-oxo-2,3,4,5-tetrahydro-1H-purin-9-yl)-2-(benzoyloxymethyl)cyclobutyl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1C(OC(C1OC(=O)C)N2C=NC3=C(N=CN=C32)N)COP4SCCS4

DOS

IR

Vibrations