Geometry & MOs

Info

ID:	156019
PubChem CID:	56368794
Reduced:	NSO2C11H14 (2)
Stoich.:	ABC2D11E14 (2)
Weight, g/mol:	417.217618
ΔH_f, kcal/mol:	-143.19
Dipole, Da:	6.81
IP(EA), eV:	-9.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-acetyl-2-fluorophenyl)-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)CCC(=O)C3=CC=C(S3)C

DOS

IR

Vibrations