Geometry & MOs

Info

ID:	375771
PubChem CID:	134221761
Reduced:	NSO3F4C12H13 (1)
Stoich.:	ABC3D4E12F13 (1)
Weight, g/mol:	231.072928
ΔH_f, kcal/mol:	-307.88
Dipole, Da:	7.53
IP(EA), eV:	-10.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-fluoro-1-[4-(methylsulfonimidoyl)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CS(=NC(=O)C(F)(F)F)(=O)C1=CC=C(C=C1)[C@H](CCF)O

DOS

IR

Vibrations