Geometry & MOs

Info

ID:	192715
PubChem CID:	78303607
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	402.208947
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	4.84
IP(EA), eV:	-9.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCSC1=NC2C(N1CCC3=CC=CC=C3)C(=O)NC(=O)N2C

DOS

IR

Vibrations