Geometry & MOs

Info

ID:	337999
PubChem CID:	127258622
Reduced:	OC7H14 (2)
Stoich.:	AB7C14 (2)
Weight, g/mol:	554.509653
ΔH_f, kcal/mol:	-153.07
Dipole, Da:	1.72
IP(EA), eV:	-10.49(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tridecylsulfanyloctadecyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(CC)C(C)(C)CCC

DOS

IR

Vibrations