Geometry & MOs

Info

ID:	78532
PubChem CID:	49693495
Reduced:	FSN3O4C17H22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-193.31
Dipole, Da:	6.27
IP(EA), eV:	-9.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations