Geometry & MOs

Info

ID:	124207
PubChem CID:	50874756
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	415.03317
ΔH_f, kcal/mol:	-11.76
Dipole, Da:	4.49
IP(EA), eV:	-9.06(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(C)C(=O)N(C)CC2=NC(=NO2)C3=CC=CS3

DOS

IR

Vibrations