Geometry & MOs

Info

ID:	308767
PubChem CID:	126522463
Reduced:	ON9C26H27 (1)
Stoich.:	AB9C26D27 (1)
Weight, g/mol:	546.248521
ΔH_f, kcal/mol:	142.83
Dipole, Da:	11.38
IP(EA), eV:	-8.51(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-aminopropylamino)-3-methyl-7-[3-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylpropyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)N6CCN(CC6)C)/NN3

DOS

IR

Vibrations