Geometry & MOs

Info

ID:	408465
PubChem CID:	135081231
Reduced:	BrSF3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	3.91
IP(EA), eV:	-9.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-5-hydroxy-2,2,6-trimethylcyclohexan-1-one

Drug info:

PubChemData

Smile

C/C(=C/C(F)(F)F)/C1=CC=C(S1)Br

DOS

IR

Vibrations