Geometry & MOs

Info

ID:	369621
PubChem CID:	127334906
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	391.25834
ΔH_f, kcal/mol:	18.26
Dipole, Da:	3.84
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)C3=CSC(=N3)C4CC4

DOS

IR

Vibrations