Geometry & MOs

Info

ID:	165280
PubChem CID:	74525863
Reduced:	N4O5C21H24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	408.161997
ΔH_f, kcal/mol:	-156.48
Dipole, Da:	4.47
IP(EA), eV:	-9.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzylsulfanyl-3,7-dimethyl-1-[(4-methylphenyl)methyl]-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CN1C=C(C2C1C(=O)N(C(=O)N2)C3=CC=CC=C3)C(=O)N4CCC(CC4)C(=O)OC

DOS

IR

Vibrations