Geometry & MOs

Info

ID:	449730
PubChem CID:	135301008
Reduced:	ClC17H17 (1)
Stoich.:	AB17C17 (1)
Weight, g/mol:	262.08505
ΔH_f, kcal/mol:	11.97
Dipole, Da:	1.94
IP(EA), eV:	-9.08(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1,1,1-trifluoro-2-methyl-3-(1-methylsulfonylbutan-2-yloxy)propane

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H]2CCCC3=CC=CC=C23)Cl

DOS

IR

Vibrations