Geometry & MOs

Info

ID:	193163
PubChem CID:	78351422
Reduced:	O2N4C25H26 (1)
Stoich.:	A2B4C25D26 (1)
Weight, g/mol:	332.094312
ΔH_f, kcal/mol:	35.66
Dipole, Da:	2.73
IP(EA), eV:	-8.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-8-phenacylsulfanyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=NNC(=O)C2CC(NN2)C3=CC=C4CCC5=C4C3=CC=C5

DOS

IR

Vibrations