Geometry & MOs

Info

ID:	122705
PubChem CID:	50817903
Reduced:	FO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	488.161518
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	2.98
IP(EA), eV:	-9.24(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-[(4-chlorobenzoyl)-methylamino]ethyl]-1,2,4-oxadiazol-5-yl]-N-[(4-methylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=NCC2=CC=CC=N2)NC(=O)C3=CC(=CC=C3)F

DOS

IR

Vibrations