Geometry & MOs

Info

ID:	180005
PubChem CID:	76565682
Reduced:	F2N3O3C11H17 (1)
Stoich.:	A2B3C3D11E17 (1)
Weight, g/mol:	411.139013
ΔH_f, kcal/mol:	-244.46
Dipole, Da:	3.09
IP(EA), eV:	-9.06(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC(=O)NC1CNCC1N2CC(CCC2=O)(F)F

DOS

IR

Vibrations