Geometry & MOs

Info

ID:	402647
PubChem CID:	135056683
Reduced:	ClNF2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	226.102751
ΔH_f, kcal/mol:	-117.31
Dipole, Da:	8.07
IP(EA), eV:	-9.53(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-phenylsulfanylhexane-3,4-diol

Drug info:

PubChemData

Smile

C1[C@@H]2CC3=C([C@H]1CNC2)C=CC(=C3F)F.Cl

DOS

IR

Vibrations