Geometry & MOs

Info

ID:	59309
PubChem CID:	24778933
Reduced:	NPO8C42H82 (1)
Stoich.:	ABC8D42E82 (1)
Weight, g/mol:	757.562156
ΔH_f, kcal/mol:	-538.39
Dipole, Da:	16.45
IP(EA), eV:	-8.87(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations