Geometry & MOs

Info

ID:	412045
PubChem CID:	135084908
Reduced:	SO2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	238.060801
ΔH_f, kcal/mol:	-82.89
Dipole, Da:	2.27
IP(EA), eV:	-8.3(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-chloro-5,5-dimethoxy-3-oxohexanoate

Drug info:

PubChemData

Smile

CCCCSC#CCCOC1CCCCO1

DOS

IR

Vibrations