Geometry & MOs

Info

ID:	324841
PubChem CID:	126678456
Reduced:	O3C13H22 (1)
Stoich.:	A3B13C22 (1)
Weight, g/mol:	651.413503
ΔH_f, kcal/mol:	-157.74
Dipole, Da:	1.37
IP(EA), eV:	-9.75(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,4-dihydroxyphenyl)-2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoyl]oxyethyl octanoate

Drug info:

PubChemData

Smile

CC1CCC(CC(=O)OCC(/C=C/C1)C)O

DOS

IR

Vibrations