Geometry & MOs

Info

ID:	308702
PubChem CID:	126522398
Reduced:	ON6H14C22 (1)
Stoich.:	AB6C14D22 (1)
Weight, g/mol:	548.126023
ΔH_f, kcal/mol:	188.1
Dipole, Da:	4.34
IP(EA), eV:	-8.64(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[[3,7-dimethyl-2,6-dioxo-1-(2-oxopropyl)purin-8-yl]sulfanylmethylsulfanyl]-3,7-dimethyl-1-(2-oxopropyl)purine-2,6-dione

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=COC=C6)/NN3

DOS

IR

Vibrations