Geometry & MOs

Info

ID:	262630
PubChem CID:	103304088
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	367.96353
ΔH_f, kcal/mol:	-30.78
Dipole, Da:	6.96
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-[3-(trifluoromethyl)phenyl]methyl]-2,4,5-trifluorobenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC=N2)NC

DOS

IR

Vibrations