Geometry & MOs

Info

ID:	447790
PubChem CID:	135285782
Reduced:	BrSN3O4C16H20 (1)
Stoich.:	ABC3D4E16F20 (1)
Weight, g/mol:	348.99834
ΔH_f, kcal/mol:	-125.85
Dipole, Da:	2.55
IP(EA), eV:	-9.45(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-bromo-2-(tert-butylsulfamoyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations