Geometry & MOs

Info

ID:	135495
PubChem CID:	51880511
Reduced:	ClNO7H20C21 (1)
Stoich.:	ABC7D20E21 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-245.18
Dipole, Da:	6.21
IP(EA), eV:	-8.94(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)OCC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3

DOS

IR

Vibrations