Geometry & MOs

Info

ID:	376028
PubChem CID:	134222028
Reduced:	BrCl2F3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	308.099477
ΔH_f, kcal/mol:	-139.21
Dipole, Da:	4.76
IP(EA), eV:	-9.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(C2=CC(=C(C(=C2)C)Cl)Cl)C(F)(F)F)Br

DOS

IR

Vibrations