Geometry & MOs

Info

ID:	434746
PubChem CID:	135175622
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	317.108565
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	2.12
IP(EA), eV:	-9.03(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-pyridin-3-ylphenoxy)ethoxy]-3-sulfanylbutan-2-one

Drug info:

PubChemData

Smile

CC(C(=O)COCCOC1=CN=C(C=C1)C2=CC=CC=C2)S

DOS

IR

Vibrations