Geometry & MOs

Info

ID:	64196
PubChem CID:	29198198
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	345.068033
ΔH_f, kcal/mol:	-36.79
Dipole, Da:	3.77
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=CO3)C4=CC=CC=C4)OC

DOS

IR

Vibrations