Geometry & MOs

Info

ID:	141748
PubChem CID:	52923395
Reduced:	NPO8C45H88 (1)
Stoich.:	ABC8D45E88 (1)
Weight, g/mol:	802.632581
ΔH_f, kcal/mol:	-565.41
Dipole, Da:	11.13
IP(EA), eV:	-9.41(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(2R)-3-henicosanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC

DOS

IR

Vibrations