Geometry & MOs

Info

ID:	11305
PubChem CID:	113529
Reduced:	O11C27H46 (1)
Stoich.:	A11B27C46 (1)
Weight, g/mol:	546.304012
ΔH_f, kcal/mol:	-555.37
Dipole, Da:	3.16
IP(EA), eV:	-10.75(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-diacetyloxy-4-(1-hexadecanoyloxy-3-hydroxypropan-2-yl)oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)C(C(C(=O)O)OC(=O)C)OC(=O)C

DOS

IR

Vibrations