Geometry & MOs

Info

ID:	155389
PubChem CID:	56353032
Reduced:	O4N6C23H24 (1)
Stoich.:	A4B6C23D24 (1)
Weight, g/mol:	446.123561
ΔH_f, kcal/mol:	-21.54
Dipole, Da:	5.38
IP(EA), eV:	-8.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations