Geometry & MOs

Info

ID:	136920
PubChem CID:	52122925
Reduced:	SO2F3N4C21H21 (1)
Stoich.:	AB2C3D4E21F21 (1)
Weight, g/mol:	387.20323
ΔH_f, kcal/mol:	-146.42
Dipole, Da:	7.68
IP(EA), eV:	-9.14(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-[[1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-ium-4-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)C(F)(F)F)CC3=NN=C(O3)C4=CC=CS4

DOS

IR

Vibrations