Geometry & MOs

Info

ID:	179226
PubChem CID:	76453267
Reduced:	BrNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	339.117883
ΔH_f, kcal/mol:	-180.4
Dipole, Da:	6.47
IP(EA), eV:	-9.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2CC(C(C2COC(=O)C)O)Br

DOS

IR

Vibrations