Geometry & MOs

Info

ID:	314702
PubChem CID:	126622772
Reduced:	NPO8C43H82 (1)
Stoich.:	ABC8D43E82 (1)
Weight, g/mol:	772.585631
ΔH_f, kcal/mol:	-531.38
Dipole, Da:	14.41
IP(EA), eV:	-9.4(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-dimethyl-(2-phosphonooxyethyl)azanium

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)CCOP(=O)(O)[O-])OC(=O)CCCCCCC/C=C\CCCCCCCC

DOS

IR

Vibrations