Geometry & MOs

Info

ID:	69067
PubChem CID:	46517462
Reduced:	BrN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	393.114713
ΔH_f, kcal/mol:	-74.04
Dipole, Da:	3.71
IP(EA), eV:	-8.73(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzofuran-2-yl)ethyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN(C)C(=O)C2=CC=CO2)Br

DOS

IR

Vibrations