Geometry & MOs

Info

ID:	152447
PubChem CID:	56311376
Reduced:	SN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	7.94
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC=C(O3)S(=O)(=O)N(C)C

DOS

IR

Vibrations