Geometry & MOs

Info

ID:	420125
PubChem CID:	135111299
Reduced:	SF2N2O3C16H22 (1)
Stoich.:	AB2C2D3E16F22 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-199.58
Dipole, Da:	2.6
IP(EA), eV:	-8.92(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecane

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)CO

DOS

IR

Vibrations