Geometry & MOs

Info

ID:	158189
PubChem CID:	56463128
Reduced:	ClSO3N5C19H20 (1)
Stoich.:	ABC3D5E19F20 (1)
Weight, g/mol:	399.01399
ΔH_f, kcal/mol:	16.81
Dipole, Da:	1.03
IP(EA), eV:	-9.77(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromonaphthalen-2-yl)oxy-N-(2-ethylsulfonylethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations