Geometry & MOs

Info

ID:	403560
PubChem CID:	135060791
Reduced:	FNO2H18C23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	334.140279
ΔH_f, kcal/mol:	-45.74
Dipole, Da:	4.54
IP(EA), eV:	-9.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-1-fluoro-1-[2-[(S)-(4-methylphenyl)sulfinyl]phenyl]hexan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@]2(C3=CC=CC=C3NC2=O)[C@H](C(=O)C4=CC=CC=C4)F

DOS

IR

Vibrations