Geometry & MOs

Info

ID:	192716
PubChem CID:	78303608
Reduced:	SO2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	416.224597
ΔH_f, kcal/mol:	-51.8
Dipole, Da:	4.82
IP(EA), eV:	-9.33(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-octylsulfanyl-7-(2-phenylethyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCCSC1=NC2C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

DOS

IR

Vibrations