Geometry & MOs

Info

ID:	175832
PubChem CID:	75956993
Reduced:	NPO7C46H87 (1)
Stoich.:	ABC7D46E87 (1)
Weight, g/mol:	791.582891
ΔH_f, kcal/mol:	-408.48
Dipole, Da:	15.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.757274
Charge, e:	0

Chem-info

IUPAC name:

(2-icosa-5,8,11,14,17-pentaenoyloxy-3-octadec-1-enoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC=COCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC=CCC=CCC=CCCCCC

DOS

IR

Vibrations