Geometry & MOs

Info

ID:	122930
PubChem CID:	50826806
Reduced:	O2N3C13H13 (2)
Stoich.:	A2B3C13D13 (2)
Weight, g/mol:	473.186318
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	6.21
IP(EA), eV:	-8.52(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide

Drug info:

PubChemData

Smile

CN(CCC1=NOC(=N1)C2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations