Geometry & MOs

Info

ID:	175827
PubChem CID:	75955005
Reduced:	BrNF3O3H13C18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	723.483905
ΔH_f, kcal/mol:	-209.78
Dipole, Da:	1.9
IP(EA), eV:	-9.64(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-dodecanoyloxy-2-icosa-5,8,11,14,17-pentaenoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C=CC(=O)C2=C(C=CC(=C2)Br)OCC(=O)N

DOS

IR

Vibrations