Geometry & MOs

Info

ID:	427302
PubChem CID:	135156790
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	552.117168
ΔH_f, kcal/mol:	-9.97
Dipole, Da:	2.35
IP(EA), eV:	-9.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetamidophenyl)methyl]-2-[[(2R,3R,4S,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]propanedioic acid

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)N)C(=O)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations