Geometry & MOs

Info

ID:	427577
PubChem CID:	135160158
Reduced:	SO3C12H24 (1)
Stoich.:	AB3C12D24 (1)
Weight, g/mol:	335.90257
ΔH_f, kcal/mol:	-178.12
Dipole, Da:	4.25
IP(EA), eV:	-10.71(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-iodophenyl)-2,2,2-trifluoroethanol

Drug info:

PubChemData

Smile

CCCC(CC)C1CCCCC1S(=O)(=O)O

DOS

IR

Vibrations