Geometry & MOs

Info

ID:	192714
PubChem CID:	78303571
Reduced:	ClSO2N4C21H29 (1)
Stoich.:	ABC2D4E21F29 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	4.44
IP(EA), eV:	-9.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCN1C2C(N=C1SCC3=CC=C(C=C3)Cl)N(C(=O)NC2=O)C

DOS

IR

Vibrations