Geometry & MOs

Info

ID:	178004
PubChem CID:	76262002
Reduced:	BrFN4O4C18H24 (1)
Stoich.:	ABC4D4E18F24 (1)
Weight, g/mol:	459.162806
ΔH_f, kcal/mol:	-199.16
Dipole, Da:	6.34
IP(EA), eV:	-9.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-6-(3-methylphenyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CCOC)C(=O)C2=CC(=CC(=C2)Br)F)N

DOS

IR

Vibrations