Geometry & MOs

Info

ID:	350027
PubChem CID:	127276900
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	281.094646
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	6.52
IP(EA), eV:	-8.54(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(9-ethylpurin-6-yl)-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations