Geometry & MOs

Info

ID:	83992
PubChem CID:	49863102
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	345.15896
ΔH_f, kcal/mol:	-65.45
Dipole, Da:	5.14
IP(EA), eV:	-8.42(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-naphthalen-2-yl-7H-purin-6-yl)pentanamide

Drug info:

PubChemData

Smile

CN(C1CCNCC1)C2=C(C=CC(=C2)S(=O)(=O)NCC3=CC=CC=C3)OC

DOS

IR

Vibrations