Geometry & MOs

Info

ID:	122839
PubChem CID:	50823693
Reduced:	BrSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	-90.9
Dipole, Da:	9.39
IP(EA), eV:	-9.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)C(=O)CC3=CC=C(C=C3)Br

DOS

IR

Vibrations