Geometry & MOs

Info

ID:	225849
PubChem CID:	87235686
Reduced:	NPO3C37H75 (1)
Stoich.:	ABC3D37E75 (1)
Weight, g/mol:	640.579757
ΔH_f, kcal/mol:	-245.61
Dipole, Da:	4.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764614
Charge, e:	1

Chem-info

IUPAC name:

(2-hexadecanoylphosphanyloxy-3-oxoicosyl)-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)POC(C[N+](C)(C)C)C(=O)CCCCCCCCCCCCC

DOS

IR

Vibrations