Geometry & MOs

Info

ID:	130909
PubChem CID:	51126118
Reduced:	BrNSO5H12C14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	452.208691
ΔH_f, kcal/mol:	-168.32
Dipole, Da:	6.46
IP(EA), eV:	-9.55(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-1-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)S(=O)(=O)NC2=CC=C(C=C2)Br)O)C(=O)O

DOS

IR

Vibrations