Geometry & MOs

Info

ID:	376060
PubChem CID:	134222062
Reduced:	ClFO3N7H27C29 (1)
Stoich.:	ABC3D7E27F29 (1)
Weight, g/mol:	308.099477
ΔH_f, kcal/mol:	-54.58
Dipole, Da:	8.69
IP(EA), eV:	-9.05(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-3-fluoro-1-[4-[6-(methylsulfonimidoyl)pyridin-3-yl]phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC(=C(C=C1)CNC(=O)C2CC2)N3C=CC(=NC3=O)N)C4=CC(=C(C(=C4)Cl)F)N5C=CC(=NC5=O)N

DOS

IR

Vibrations