Geometry & MOs

Info

ID:	338000
PubChem CID:	127258623
Reduced:	SO2C35H70 (1)
Stoich.:	AB2C35D70 (1)
Weight, g/mol:	288.23006
ΔH_f, kcal/mol:	-254.07
Dipole, Da:	3.08
IP(EA), eV:	-8.66(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dibutoxybutyl butanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(CCOC(=O)CCC)SCCCCCCCCCCCCC

DOS

IR

Vibrations