Geometry & MOs

Info

ID:	17179
PubChem CID:	487039
Reduced:	BrClNS2F3O3H6C12 (1)
Stoich.:	ABCD2E3F3G6H12 (1)
Weight, g/mol:	446.86131
ΔH_f, kcal/mol:	-223.88
Dipole, Da:	3.83
IP(EA), eV:	-9.61(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-bromo-3-(4-chlorophenyl)sulfonylthiophen-2-yl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations