Geometry & MOs

Info

ID:	16789
PubChem CID:	476825
Reduced:	N2O5C28H42 (1)
Stoich.:	A2B5C28D42 (1)
Weight, g/mol:	486.309372
ΔH_f, kcal/mol:	-225.51
Dipole, Da:	6.23
IP(EA), eV:	-9.47(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCC(=O)OC[C@@H]1C=C[C@@H](O1)N2C=C(C(=O)NC2=O)C

DOS

IR

Vibrations