Geometry & MOs

Info

ID:	128094
PubChem CID:	51030864
Reduced:	N2O2C21H34 (1)
Stoich.:	A2B2C21D34 (1)
Weight, g/mol:	846.64622
ΔH_f, kcal/mol:	-83.23
Dipole, Da:	3.82
IP(EA), eV:	-8.8(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]oxy-2-(nonadecanoylamino)octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C/C(=N\OCCN)/CC[C@]34C

DOS

IR

Vibrations