Geometry & MOs

Info

ID:	262642
PubChem CID:	103304476
Reduced:	SO2N3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	393.90026
ΔH_f, kcal/mol:	-53.67
Dipole, Da:	3.58
IP(EA), eV:	-8.75(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(C)S(=O)(=O)C1=C(C=CC=N1)NC

DOS

IR

Vibrations