Geometry & MOs

Info

ID:	122780
PubChem CID:	50821127
Reduced:	FO2N5H18C24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	479.098491
ΔH_f, kcal/mol:	5.88
Dipole, Da:	9.32
IP(EA), eV:	-9.06(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylthiophen-3-yl]sulfonylpiperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3C(=NC(=N3)C(=O)NC4=CC(=CC=C4)F)C(=O)N2CC5=CC=CC=C5

DOS

IR

Vibrations