Geometry & MOs

Info

ID:	154589
PubChem CID:	56314055
Reduced:	BrFNOSC15H15 (1)
Stoich.:	ABCDEF15G15 (1)
Weight, g/mol:	448.183207
ΔH_f, kcal/mol:	-41.07
Dipole, Da:	2.88
IP(EA), eV:	-9.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=C(S1)Br)C2=CC=CC=C2F

DOS

IR

Vibrations