Geometry & MOs

Info

ID:	136532
PubChem CID:	52057508
Reduced:	SO2N4C19H25 (1)
Stoich.:	AB2C4D19E25 (1)
Weight, g/mol:	479.208803
ΔH_f, kcal/mol:	12.93
Dipole, Da:	7.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.970788
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-chlorophenyl)piperazin-1-yl]-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(=O)N2CCSCC2)CC3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations