Geometry & MOs

Info

ID:	59113
PubChem CID:	24771011
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	480.167666
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	4.69
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3S)-4-[2-chloro-6-(naphthalen-1-ylmethylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]propanamide

Drug info:

PubChemData

Smile

CN(CCC(=O)N)C1=CC=CC2=C1N(N=C2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations