Geometry & MOs

Info

ID:	434745
PubChem CID:	135175619
Reduced:	BrSF2N3O4C32H36 (1)
Stoich.:	ABC2D3E4F32G36 (1)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-208.58
Dipole, Da:	10.97
IP(EA), eV:	-9.11(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-phenylpyridin-3-yl)oxyethoxy]-3-sulfanylbutan-2-one

Drug info:

PubChemData

Smile

CN([C@H](C(=O)N1C2CCC1CC(C2)N)C(C3=CC(=CC=C3)Br)(F)F)S(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6

DOS

IR

Vibrations