Geometry & MOs

Info

ID:	176396
PubChem CID:	76043924
Reduced:	NPO7C48H97 (1)
Stoich.:	ABC7D48E97 (1)
Weight, g/mol:	876.491767
ΔH_f, kcal/mol:	-522.01
Dipole, Da:	0.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752019
Charge, e:	0

Chem-info

IUPAC name:

[1-hexadec-9-enoyloxy-3-[hydroxy-(2-hydroxy-3-phosphonooxypropoxy)phosphoryl]oxypropan-2-yl] docosa-7,10,13,16-tetraenoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(COCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C

DOS

IR

Vibrations