Geometry & MOs

Info

ID:	38830
PubChem CID:	8138007
Reduced:	O2F3N3H12C14 (1)
Stoich.:	A2B3C3D12E14 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-179.7
Dipole, Da:	3.62
IP(EA), eV:	-9.48(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations