Geometry & MOs

Info

ID:	219351
PubChem CID:	85146938
Reduced:	BrNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	378.053111
ΔH_f, kcal/mol:	-143.51
Dipole, Da:	4.16
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-chloro-2-fluoropurin-9-yl)-1,3-dioxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(C2=NC3=CC=CC=C3C=C2C1OC(=O)C)Br

DOS

IR

Vibrations