Geometry & MOs

Info

ID:	11165
PubChem CID:	111544
Reduced:	SC4O4N5H9 (1)
Stoich.:	AB4C4D5E9 (1)
Weight, g/mol:	223.037525
ΔH_f, kcal/mol:	-144.47
Dipole, Da:	4.71
IP(EA), eV:	-10.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrimidine-4,5,6-triamine;sulfuric acid

Drug info:

PubChemData

Smile

C1=NC(=C(C(=N1)N)N)N.OS(=O)(=O)O

DOS

IR

Vibrations