Geometry & MOs

Info

ID:	357219
PubChem CID:	127293723
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	272.138559
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	7.72
IP(EA), eV:	-8.81(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopurin-9-yl)-1-(2-azabicyclo[2.2.1]heptan-2-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)NC2=NC=CS2)CC(=O)N3CC4CCC3C4

DOS

IR

Vibrations