Geometry & MOs

Info

ID:	350153
PubChem CID:	127277231
Reduced:	SN2O4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-100.28
Dipole, Da:	5.37
IP(EA), eV:	-8.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-methyl-1,3-dioxo-2-azaspiro[4.5]decan-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations