Geometry & MOs

Info

ID:	236476
PubChem CID:	92713374
Reduced:	BrN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-102.43
Dipole, Da:	4.58
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCC1)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC2

DOS

IR

Vibrations