Geometry & MOs

Info

ID:	308704
PubChem CID:	126522400
Reduced:	N3O5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	576.157323
ΔH_f, kcal/mol:	-204.22
Dipole, Da:	6.66
IP(EA), eV:	-8.03(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)[C@@]1(C(CCO1)C2CCC(CN2C(=O)O)C3=CNC4=C3C=C(C=C4)OC)C(=O)N

DOS

IR

Vibrations