Geometry & MOs

Info

ID:	214829
PubChem CID:	85083710
Reduced:	N4O4F7C28H29 (1)
Stoich.:	A4B4C7D28E29 (1)
Weight, g/mol:	618.437289
ΔH_f, kcal/mol:	-500.07
Dipole, Da:	5.2
IP(EA), eV:	-9.53(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(octadecylcarbamoyloxymethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

C1CN(C2CN(C(=O)C(N2C1=O)CCCCN)CC3=CC(=CC=C3)F)C(=O)OCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations