Geometry & MOs

Info

ID:	49452
PubChem CID:	11533041
Reduced:	N2S2O5C23H28 (1)
Stoich.:	A2B2C5D23E28 (1)
Weight, g/mol:	475.033119
ΔH_f, kcal/mol:	-144.16
Dipole, Da:	8.22
IP(EA), eV:	-8.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis(2-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1-methylpiperidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@@H]1C(=C)C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations