Geometry & MOs

Info

ID:	141952
PubChem CID:	52956608
Reduced:	SO2N4C27H28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	475.237902
ΔH_f, kcal/mol:	32.35
Dipole, Da:	9.45
IP(EA), eV:	-8.96(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-(2-hydroxy-3-phenoxypropyl)-3-methyl-8-nonylsulfanyl-9H-purin-7-ium-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(N=N2)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCCCC5

DOS

IR

Vibrations