Geometry & MOs

Info

ID:	70658
PubChem CID:	48413670
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	4.02
Dipole, Da:	3.62
IP(EA), eV:	-9.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C(C)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations