Geometry & MOs

Info

ID:	43367
PubChem CID:	10321182
Reduced:	S2N3O7C17H21 (1)
Stoich.:	A2B3C7D17E21 (1)
Weight, g/mol:	443.216869
ΔH_f, kcal/mol:	-244.35
Dipole, Da:	4.17
IP(EA), eV:	-9.3(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-2-[4-(4-aminobutoxy)-3,5-dimethoxyphenyl]ethenyl]-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CNC(=O)[C@H](CC1=CC=C(C=C1)NS(=O)(=O)O)NS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations