Geometry & MOs

Info

ID:	59769
PubChem CID:	24896460
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	449.188546
ΔH_f, kcal/mol:	-11.31
Dipole, Da:	8.69
IP(EA), eV:	-8.53(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,5-dimethoxyphenyl)sulfanyl-3-[2-(2,4,6-trimethylphenyl)ethyl]purin-6-amine

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)N(C2=NC(=CS2)C3=CN=CC=C3)C(=O)N

DOS

IR

Vibrations