Geometry & MOs

Info

ID:	220544
PubChem CID:	85197732
Reduced:	BrO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	327.097897
ΔH_f, kcal/mol:	-118.07
Dipole, Da:	4.51
IP(EA), eV:	-9.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-acetamido-8-fluoro-6-oxo-5H-purin-9-yl)methoxy]ethyl acetate

Drug info:

PubChemData

Smile

C1CC2CCC3CC(CC4C3C2C(C1)C4=O)OCCBr

DOS

IR

Vibrations