Geometry & MOs

Info

ID:	12024
PubChem CID:	126267
Reduced:	SO3N5C9H13 (1)
Stoich.:	AB3C5D9E13 (1)
Weight, g/mol:	271.07391
ΔH_f, kcal/mol:	-67.96
Dipole, Da:	10.49
IP(EA), eV:	-9.31(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-(1,3-dihydroxypropan-2-ylsulfanylmethyl)-3H-purin-6-one

Drug info:

PubChemData

Smile

C1=NC2=C(N1CSC(CO)CO)NC(=NC2=O)N

DOS

IR

Vibrations