Geometry & MOs

Info

ID:	338077
PubChem CID:	127258708
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	-162.96
Dipole, Da:	2.67
IP(EA), eV:	-9.57(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfinyl)butyl 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OCCNC(=O)CC1=CC=CC=C1

DOS

IR

Vibrations