Geometry & MOs

Info

ID:	303498
PubChem CID:	124489823
Reduced:	ClHC6F6 (1)
Stoich.:	ABC6D6 (1)
Weight, g/mol:	186.050379
ΔH_f, kcal/mol:	-256.96
Dipole, Da:	1.1
IP(EA), eV:	-10.68(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-ethyl-4,4,4-trifluoro-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

[C@H]1(C(=C(C(=C([C@]1(F)Cl)F)F)F)F)F

DOS

IR

Vibrations