Geometry & MOs

Info

ID:	398016
PubChem CID:	135031375
Reduced:	OS2F10H12C14 (1)
Stoich.:	AB2C10D12E14 (1)
Weight, g/mol:	401.97124
ΔH_f, kcal/mol:	-490.42
Dipole, Da:	6.88
IP(EA), eV:	-10.05(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-bromophenyl)-2-[4-(pentafluoro-lambda6-sulfanyl)phenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CC2=CC(=CC(=C2)S(F)(F)(F)(F)F)S(F)(F)(F)(F)F)O

DOS

IR

Vibrations