Geometry & MOs

Info

ID:	420453
PubChem CID:	135113215
Reduced:	SN2O5C15H22 (1)
Stoich.:	AB2C5D15E22 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-180.54
Dipole, Da:	5.5
IP(EA), eV:	-9.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(pyridin-3-ylmethyl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations