Geometry & MOs

Info

ID:	398017
PubChem CID:	135031379
Reduced:	BrOSF5H12C14 (1)
Stoich.:	ABCD5E12F14 (1)
Weight, g/mol:	391.982782
ΔH_f, kcal/mol:	-246.4
Dipole, Da:	5.91
IP(EA), eV:	-9.69(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2,6-dichlorophenyl)-2-[4-(pentafluoro-lambda6-sulfanyl)phenyl]ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@@H](C2=CC=C(C=C2)Br)O)S(F)(F)(F)(F)F

DOS

IR

Vibrations