Geometry & MOs

Info

ID:	192710
PubChem CID:	78303499
Reduced:	O2N6C21H34 (1)
Stoich.:	A2B6C21D34 (1)
Weight, g/mol:	358.146347
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	4.98
IP(EA), eV:	-9.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-7-(3-phenylpropyl)-8-prop-2-enylsulfanyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCN1C2C(N=C1N3C(=CC(=N3)C)C)N(C(=O)NC2=O)C

DOS

IR

Vibrations