Geometry & MOs

Info

ID:	156704
PubChem CID:	56371815
Reduced:	BrSO4C17H21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	453.06094
ΔH_f, kcal/mol:	-149.52
Dipole, Da:	5.34
IP(EA), eV:	-9.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)OCC1CCC=CC1)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations