Geometry & MOs

Info

ID:	161370
PubChem CID:	57391479
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	324.066555
ΔH_f, kcal/mol:	-111.62
Dipole, Da:	7.38
IP(EA), eV:	-9.46(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloropyridin-3-yl)-2-(2-pyridin-4-ylphenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)NC2=C(ON=C2C)C)C)C)OC

DOS

IR

Vibrations