Geometry & MOs

Info

ID:	333933
PubChem CID:	127252485
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-78.28
Dipole, Da:	7.24
IP(EA), eV:	-9.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrimidin-5-ylmethyl)-2-oxa-9-azaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC2(C1)CC(OC2)CC3=CN=CN=C3

DOS

IR

Vibrations