Geometry & MOs

Info

ID:	240771
PubChem CID:	93617427
Reduced:	FSN2O4C14H15 (1)
Stoich.:	ABC2D4E14F15 (1)
Weight, g/mol:	328.145678
ΔH_f, kcal/mol:	-135.86
Dipole, Da:	6.09
IP(EA), eV:	-9.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CS(=O)(=O)[C@H](C)C2=CC=C(C=C2)F

DOS

IR

Vibrations