Geometry & MOs

Info

ID:	349916
PubChem CID:	127276721
Reduced:	SO3N6C17H24 (1)
Stoich.:	AB3C6D17E24 (1)
Weight, g/mol:	355.09504
ΔH_f, kcal/mol:	-49.39
Dipole, Da:	9.04
IP(EA), eV:	-9.57(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-3,7-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)C(=O)CN(C)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations