Geometry & MOs

Info

ID:	227057
PubChem CID:	87559964
Reduced:	BrClNO4C13H13 (1)
Stoich.:	ABCD4E13F13 (1)
Weight, g/mol:	465.938056
ΔH_f, kcal/mol:	-134.81
Dipole, Da:	7.43
IP(EA), eV:	-10.27(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3,5-dichlorophenyl)sulfonyl-(2-methyl-1,3-benzothiazol-5-yl)amino]oxy-methylphosphinic acid

Drug info:

PubChemData

Smile

CC/C(=C(/C(=O)C1=C(N=CC(=C1)Br)Cl)\C(=O)O)/OCC

DOS

IR

Vibrations