Geometry & MOs

Info

ID:	38517
PubChem CID:	8136962
Reduced:	N3O6C18H23 (1)
Stoich.:	A3B6C18D23 (1)
Weight, g/mol:	399.123049
ΔH_f, kcal/mol:	-208.76
Dipole, Da:	3.65
IP(EA), eV:	-9.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-[(4-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CC1)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations