Geometry & MOs

Info

ID:	161790
PubChem CID:	57392677
Reduced:	ON7H27C28 (1)
Stoich.:	AB7C27D28 (1)
Weight, g/mol:	377.073649
ΔH_f, kcal/mol:	113.02
Dipole, Da:	2.02
IP(EA), eV:	-8.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC=C(C=C2)NC3=NN4C(=CC=C4C5=CC=CC6=C5N=CC=C6)C=N3)CC(=O)N

DOS

IR

Vibrations