Geometry & MOs

Info

ID:	349742
PubChem CID:	127275904
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	388.172225
ΔH_f, kcal/mol:	-108.46
Dipole, Da:	3.88
IP(EA), eV:	-8.7(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-6-(trifluoromethyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations