Geometry & MOs

Info

ID:	140931
PubChem CID:	52785913
Reduced:	ClNSO3F6C12H12 (1)
Stoich.:	ABCD3E6F12G12 (1)
Weight, g/mol:	388.99081
ΔH_f, kcal/mol:	-422.14
Dipole, Da:	5.22
IP(EA), eV:	-10.11(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-methoxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COCCN(CC(F)(F)F)S(=O)(=O)C1=C(C=C(C=C1)Cl)C(F)(F)F

DOS

IR

Vibrations