Geometry & MOs

Info

ID:	31914
PubChem CID:	3723281
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	396.93952
ΔH_f, kcal/mol:	-79.04
Dipole, Da:	3.22
IP(EA), eV:	-9.24(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

DOS

IR

Vibrations