Geometry & MOs

Info

ID:	240743
PubChem CID:	93617258
Reduced:	NSO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	337.171165
ΔH_f, kcal/mol:	-139.97
Dipole, Da:	6.03
IP(EA), eV:	-9.2(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[(2-methylphenyl)methylsulfonyl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)[C@H](C)S(=O)(=O)CC2=CC=CC=C2C)C

DOS

IR

Vibrations