Geometry & MOs

Info

ID:	16788
PubChem CID:	476817
Reduced:	N5O5C28H43 (1)
Stoich.:	A5B5C28D43 (1)
Weight, g/mol:	529.32642
ΔH_f, kcal/mol:	-177.17
Dipole, Da:	2.68
IP(EA), eV:	-9.59(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations