Geometry & MOs

Info

ID:	122833
PubChem CID:	50823353
Reduced:	BrFS2N3O3H11C14 (1)
Stoich.:	ABC2D3E3F11G14 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	7.62
IP(EA), eV:	-9.34(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CSC(=C2)S(=O)(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations