Geometry & MOs

Info

ID:

168274

PubChem CID:

74943147

Reduced:

BF2N2O16H63C78 (1)

Stoich.:

AB2C2D16E63F78 (1)

Weight, g/mol:

1070.784473

ΔHf, kcal/mol:

-542.2

Dipole, Da:

13.57

IP(EA), eV:

 -8.87(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadeca-9,12-dienoyloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

B(N1C(=C(C(=C1C(=C2C(=C(C(=N2)C)C#CC3=CC(=C(C=C3)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O)C)C7=CC=C(C=C7)C#CCOCCOCCOCCOCC(=O)OC(C)(C)C)C)C#CC8=CC(=C(C=C8)C9=C1C=CC(=O)C=C1OC1=C9C=CC(=C1)O)C(=O)O)C)(F)F

DOS

IR

Vibrations