Geometry & MOs

Info

ID:	318256
PubChem CID:	126650119
Reduced:	SO4F9H19C26 (1)
Stoich.:	AB4C9D19E26 (1)
Weight, g/mol:	329.9537
ΔH_f, kcal/mol:	-534.62
Dipole, Da:	8.81
IP(EA), eV:	-9.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-(2-methylsulfonylethyl)-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1COC2=C([C@H]1C3=C(C=C(C=C3)C(F)(F)F)CCCCF)C=CC(=C2)S(=O)(=O)OC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations