Geometry & MOs

Info

ID:	223633
PubChem CID:	85335341
Reduced:	PN3O5C22H48 (1)
Stoich.:	AB3C5D22E48 (1)
Weight, g/mol:	466.340984
ΔH_f, kcal/mol:	-356.62
Dipole, Da:	12.04
IP(EA), eV:	-8.76(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[[2-(hexanoylamino)-3-hydroxydecyl]amino]-hydroxyphosphoryl]oxypropyl-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCC(C(CNP(=O)([O-])OCCC[N+](C)(C)C)NC(=O)CCCCC)O

DOS

IR

Vibrations