Geometry & MOs

Info

ID:	308800
PubChem CID:	126522731
Reduced:	SN2O7C12H26 (1)
Stoich.:	AB2C7D12E26 (1)
Weight, g/mol:	562.141673
ΔH_f, kcal/mol:	-362.6
Dipole, Da:	7.3
IP(EA), eV:	-10.03(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)O)N.CS(=O)(=O)O

DOS

IR

Vibrations