Geometry & MOs

Info

ID:	23842
PubChem CID:	606629
Reduced:	SO2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	331.110296
ΔH_f, kcal/mol:	14.36
Dipole, Da:	6.03
IP(EA), eV:	-8.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OCCSC2=NC3=NC=NC(=C3N2)N

DOS

IR

Vibrations