Geometry & MOs

Info

ID:	218611
PubChem CID:	85089686
Reduced:	SN2O8C22H32 (1)
Stoich.:	AB2C8D22E32 (1)
Weight, g/mol:	484.267233
ΔH_f, kcal/mol:	-368.07
Dipole, Da:	4.88
IP(EA), eV:	-9.61(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadeca-4,7,10,13-tetraenoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C(=O)OC)C(C)(C)SCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations