Geometry & MOs

Info

ID:	16787
PubChem CID:	476816
Reduced:	N5O5C28H41 (1)
Stoich.:	A5B5C28D41 (1)
Weight, g/mol:	527.310769
ΔH_f, kcal/mol:	-154.25
Dipole, Da:	3.03
IP(EA), eV:	-9.44(-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-6,9,12-trienoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations