Geometry & MOs

Info

ID:	121720
PubChem CID:	50779090
Reduced:	BrO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	27.46
Dipole, Da:	6.9
IP(EA), eV:	-8.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC(=C2)C3=NOC(=N3)C4CCC4)Br

DOS

IR

Vibrations