Geometry & MOs

Info

ID:	164411
PubChem CID:	74396887
Reduced:	O2S3N6H24C28 (1)
Stoich.:	A2B3C6D24E28 (1)
Weight, g/mol:	340.140964
ΔH_f, kcal/mol:	120.12
Dipole, Da:	11.11
IP(EA), eV:	-8.85(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-benzyl-2-(2-hydroxyethyl)-7-methyl-6,9a-dihydropurino[7,8-a]imidazol-9-ium-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NN=CC4=CC=CC=C4

DOS

IR

Vibrations