Geometry & MOs

Info

ID:	415828
PubChem CID:	135088829
Reduced:	ClN2S2O4C12H17 (1)
Stoich.:	AB2C2D4E12F17 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-145.22
Dipole, Da:	3.94
IP(EA), eV:	-9.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)-1,4,6-trimethylpyridin-2-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations