Geometry & MOs

Info

ID:	280544
PubChem CID:	103849825
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	333.98744
ΔH_f, kcal/mol:	-167.5
Dipole, Da:	2.25
IP(EA), eV:	-9.25(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(2-ethylsulfonylethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CC2=CC(=CC=C2)O)O

DOS

IR

Vibrations