Geometry & MOs

Info

ID:	157835
PubChem CID:	56437516
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	3.25
IP(EA), eV:	-8.67(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pentanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NNC(=O)CNC1=CC=CC=C1OC)SCC2=CC=CC=C2

DOS

IR

Vibrations