Geometry & MOs

Info

ID:	308796
PubChem CID:	126522716
Reduced:	FN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	609.14813
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	1.68
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-aminopropyl)-8-bromo-3-methyl-7-[3-(3-methyl-2,6-dioxo-7-pentylpurin-8-yl)sulfanylpropyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=CC2=C(C=CN=C21)C3=CC(=CC=C3)F

DOS

IR

Vibrations