Geometry & MOs

Info

ID:	14568
PubChem CID:	415025
Reduced:	S2C5H5N5O5 (1)
Stoich.:	A2B5C5D5E5 (1)
Weight, g/mol:	278.973211
ΔH_f, kcal/mol:	-63.71
Dipole, Da:	4.74
IP(EA), eV:	-11.2(-2.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfamoyl-5H-purine-6-sulfonic acid

Drug info:

PubChemData

Smile

C1=NC2C(=N1)N=C(N=C2S(=O)(=O)O)S(=O)(=O)N

DOS

IR

Vibrations