Geometry & MOs

Info

ID:	13160
PubChem CID:	222307
Reduced:	SO6C14H26 (1)
Stoich.:	AB6C14D26 (1)
Weight, g/mol:	322.14501
ΔH_f, kcal/mol:	-304.73
Dipole, Da:	5.95
IP(EA), eV:	-10.77(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-(3-butoxy-3-oxopropyl)sulfonylpropanoate

Drug info:

PubChemData

Smile

CCCCOC(=O)CCS(=O)(=O)CCC(=O)OCCCC

DOS

IR

Vibrations