Geometry & MOs

Info

ID:	365690
PubChem CID:	127318415
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	346.138953
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	6.18
IP(EA), eV:	-9.42(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-1-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]purine-2,6-dione

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NO3)C4CCOCC4

DOS

IR

Vibrations