Geometry & MOs

Info

ID:	124710
PubChem CID:	50893545
Reduced:	BrClNSF3O4H10C15 (1)
Stoich.:	ABCDE3F4G10H15 (1)
Weight, g/mol:	484.9311
ΔH_f, kcal/mol:	-274.67
Dipole, Da:	8.5
IP(EA), eV:	-10.26(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[N-(4-bromophenyl)sulfonyl-2-chloro-5-(trifluoromethyl)anilino]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)N(CC(=O)O)C2=C(C=CC(=C2)C(F)(F)F)Cl)Br

DOS

IR

Vibrations