Geometry & MOs

Info

ID:	146158
PubChem CID:	53645255
Reduced:	NSO2F3C22H26 (1)
Stoich.:	ABC2D3E22F26 (1)
Weight, g/mol:	186.086764
ΔH_f, kcal/mol:	-218.6
Dipole, Da:	3.73
IP(EA), eV:	-8.46(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-ethoxy-1,1,1-trifluoropentan-2-ol

Drug info:

PubChemData

Smile

CC[C@@]1(CSC2=C(C=C(C=C2)OC)[C@@H](N1)C3=CC=CC=C3)CC(CC(F)(F)F)O

DOS

IR

Vibrations