Geometry & MOs

Info

ID:	411624
PubChem CID:	135084456
Reduced:	SO2C12H14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	215.99499
ΔH_f, kcal/mol:	-47.56
Dipole, Da:	0.99
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-2-fluoroethyl)-2-methylbenzene

Drug info:

PubChemData

Smile

CC(=CC(=O)C1=CC=C(C=C1)OC)SC

DOS

IR

Vibrations