Geometry & MOs

Info

ID:	156365
PubChem CID:	56370290
Reduced:	BrNSF3O3C13H15 (1)
Stoich.:	ABCD3E3F13G15 (1)
Weight, g/mol:	449.06603
ΔH_f, kcal/mol:	-265.57
Dipole, Da:	0.99
IP(EA), eV:	-10.06(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-2-methyl-1-(4-phenylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N(C)CC(F)(F)F)S(=O)(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations