Geometry & MOs

Info

ID:	126048
PubChem CID:	50949864
Reduced:	SN2O2F3H15C18 (1)
Stoich.:	AB2C2D3E15F18 (1)
Weight, g/mol:	414.226705
ΔH_f, kcal/mol:	-142.64
Dipole, Da:	4.73
IP(EA), eV:	-8.87(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-2-methylphenyl]butanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1C=NC(=C1C2=CC(=C(C=C2F)F)F)C3=CC=CC=C3

DOS

IR

Vibrations