Geometry & MOs

Info

ID:	231245
PubChem CID:	87573164
Reduced:	N2O2F6H18C27 (1)
Stoich.:	A2B2C6D18E27 (1)
Weight, g/mol:	450.334836
ΔH_f, kcal/mol:	-311.81
Dipole, Da:	3.36
IP(EA), eV:	-8.85(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-[(E)-octadec-9-enyl]peroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CNC(=O)C3=CC(=CC=C3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations