Geometry & MOs

Info

ID:	59288
PubChem CID:	24775907
Reduced:	F2N2O2H16C23 (1)
Stoich.:	A2B2C2D16E23 (1)
Weight, g/mol:	549.343055
ΔH_f, kcal/mol:	-70.06
Dipole, Da:	2.99
IP(EA), eV:	-8.71(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-hexadecanoyloxy-2-prop-2-enoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=CO2)C3=CN=C(C=C3)NC(=O)C4=C(C=CC=C4F)F

DOS

IR

Vibrations