Geometry & MOs

Info

ID:	23841
PubChem CID:	606628
Reduced:	SO2N5C14H15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	317.094646
ΔH_f, kcal/mol:	22.74
Dipole, Da:	5.67
IP(EA), eV:	-8.38(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(4-methoxyphenoxy)ethylsulfanyl]-7H-purin-6-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCSC2=NC3=NC=NC(=C3N2)N

DOS

IR

Vibrations