Geometry & MOs

Info

ID:	240742
PubChem CID:	93617257
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	337.171165
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	4.38
IP(EA), eV:	-9.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CS(=O)(=O)[C@H](C)C(=O)N[C@H](C)C2=CC=CC=C2

DOS

IR

Vibrations