Geometry & MOs

Info

ID:	162349
PubChem CID:	57394383
Reduced:	SO3N6C26H28 (1)
Stoich.:	AB3C6D26E28 (1)
Weight, g/mol:	362.06275
ΔH_f, kcal/mol:	-7.51
Dipole, Da:	8.18
IP(EA), eV:	-8.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(6-oxo-3H-purin-9-yl)-3-(phosphonomethoxy)propan-2-yl]oxyacetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C2=CC=C3N2N=C(N=C3)NC4=CC=C(C=C4)C5CCN(CC5)CC(=O)N

DOS

IR

Vibrations