Geometry & MOs

Info

ID:	280193
PubChem CID:	103847476
Reduced:	BrClN2O2S2H8C10 (1)
Stoich.:	ABC2D2E2F8G10 (1)
Weight, g/mol:	375.91871
ΔH_f, kcal/mol:	-32.42
Dipole, Da:	5.21
IP(EA), eV:	-9.05(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)NC2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations