Geometry & MOs

Info

ID:	214721
PubChem CID:	85083481
Reduced:	N7O7C27H51 (1)
Stoich.:	A7B7C27D51 (1)
Weight, g/mol:	586.354251
ΔH_f, kcal/mol:	-374.39
Dipole, Da:	8.11
IP(EA), eV:	-9.61(0.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[hydroxy-(2-methylsulfonyloxy-3-octadec-9-enoxypropoxy)phosphoryl]oxyethyl-trimethylazanium

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(C(C)O)NC(=O)C(CCCCN)N

DOS

IR

Vibrations