Geometry & MOs

Info

ID:	156656
PubChem CID:	56371559
Reduced:	BrSN2O4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	451.9864
ΔH_f, kcal/mol:	-124.81
Dipole, Da:	5.32
IP(EA), eV:	-9.33(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations