Geometry & MOs

Info

ID:	308677
PubChem CID:	126522373
Reduced:	F3O4H15C18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	580.12159
ΔH_f, kcal/mol:	-215.74
Dipole, Da:	2.81
IP(EA), eV:	-9.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[3-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)propylsulfanyl]-1,3-dimethyl-7-pentylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1=C(C(=C(C=C1)C/C=C\C(=C(/C=C)\F)\OC=O)F)F

DOS

IR

Vibrations