Geometry & MOs

Info

ID:	141747
PubChem CID:	52923394
Reduced:	NPO8C45H91 (1)
Stoich.:	ABC8D45E91 (1)
Weight, g/mol:	801.624756
ΔH_f, kcal/mol:	-569.63
Dipole, Da:	5.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754533
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-3-henicosanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations