Geometry & MOs

Info

ID:	156446
PubChem CID:	56370668
Reduced:	BrSN2O5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	453.06094
ΔH_f, kcal/mol:	-156.32
Dipole, Da:	6.34
IP(EA), eV:	-8.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N-[[4-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC1=CC=C(C=C1)OCC(=O)N(C)C)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations