Geometry & MOs

Info

ID:	376071
PubChem CID:	134222073
Reduced:	OCl2F3N3H16C20 (1)
Stoich.:	AB2C3D3E16F20 (1)
Weight, g/mol:	249.063506
ΔH_f, kcal/mol:	-122.55
Dipole, Da:	5.69
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C(=NC1=CC=C(C=C1)/C=C/C(C2=CC(=CC(=C2)Cl)Cl)C(F)(F)F)N=CN

DOS

IR

Vibrations