Geometry & MOs

Info

ID:	62724
PubChem CID:	26736332
Reduced:	BrSN2O4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-125.76
Dipole, Da:	4.37
IP(EA), eV:	-8.58(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)NC2=CC=CC=C2OCC

DOS

IR

Vibrations