Geometry & MOs

Info

ID:

177533

PubChem CID:

76198102

Reduced:

KSO6H8C9 (1)

Stoich.:

ABC6D8E9 (1)

Weight, g/mol:

276.94606

ΔHf, kcal/mol:

-240.3

Dipole, Da:

12.13

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.924034

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-8-iodo-3,8-dihydropurin-6-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)O)OS(=O)(=O)O.[K+]

DOS

IR

Vibrations