Geometry & MOs

Info

ID:	375767
PubChem CID:	134221757
Reduced:	SN2O2F3C17H17 (1)
Stoich.:	AB2C2D3E17F17 (1)
Weight, g/mol:	216.062029
ΔH_f, kcal/mol:	-186.84
Dipole, Da:	2.23
IP(EA), eV:	-8.7(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-1-(4-methylsulfinylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CSC1=NC=C(C=C1)C2=CC=C(C=C2)C(C(CF)NC(=O)C(F)F)O

DOS

IR

Vibrations