Geometry & MOs

Info

ID:	308818
PubChem CID:	126522801
Reduced:	OSN6H24C32 (1)
Stoich.:	ABC6D24E32 (1)
Weight, g/mol:	534.110373
ΔH_f, kcal/mol:	174.7
Dipole, Da:	10.62
IP(EA), eV:	-8.48(-1.81)
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]disulfanyl]-3,7-dimethyl-1-(2-oxopropyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)NN4)/C=C23

DOS

IR

Vibrations