Geometry & MOs

Info

ID:	2851
PubChem CID:	8731
Reduced:	O7C22H38 (1)
Stoich.:	A7B22C38 (1)
Weight, g/mol:	414.261754
ΔH_f, kcal/mol:	-335.96
Dipole, Da:	3.01
IP(EA), eV:	-9.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethyl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(C1C(=O)C(=C(O1)O)O)O

DOS

IR

Vibrations