Geometry & MOs

Info

ID:	399533
PubChem CID:	135040777
Reduced:	ClSO2H11C14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	258.105608
ΔH_f, kcal/mol:	-27.73
Dipole, Da:	3.52
IP(EA), eV:	-9.14(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-fluoro-3-hydroxy-2-methyl-1,3-diphenylpropan-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)/C=C(/C2=CSC=C2)\Cl

DOS

IR

Vibrations