Geometry & MOs

Info

ID:	289796
PubChem CID:	104373730
Reduced:	OSF3C7H7 (1)
Stoich.:	ABC3D7E7 (1)
Weight, g/mol:	196.016971
ΔH_f, kcal/mol:	-188.75
Dipole, Da:	3.97
IP(EA), eV:	-9.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=CS1)[C@@H](C(F)(F)F)O

DOS

IR

Vibrations