Geometry & MOs

Info

ID:	123311
PubChem CID:	50841892
Reduced:	FSO3N4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	433.119319
ΔH_f, kcal/mol:	-48.25
Dipole, Da:	4.74
IP(EA), eV:	-8.85(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-2-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations