Geometry & MOs

Info

ID:	357454
PubChem CID:	127294087
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-193.74
Dipole, Da:	5.98
IP(EA), eV:	-9.51(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[4-[4-(1,2,4-oxadiazol-3-yl)benzoyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCC3COCCO3

DOS

IR

Vibrations