Geometry & MOs

Info

ID:	121232
PubChem CID:	50759529
Reduced:	BrN2O3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	393.075882
ΔH_f, kcal/mol:	-85.92
Dipole, Da:	1.89
IP(EA), eV:	-9.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2C3=C(C=CC(=C3)Br)OCC(=O)N2CCCC4=CC=CC=C4

DOS

IR

Vibrations