Geometry & MOs

Info

ID:	225881
PubChem CID:	87235922
Reduced:	S2N4O4C19H20 (1)
Stoich.:	A2B4C4D19E20 (1)
Weight, g/mol:	584.517157
ΔH_f, kcal/mol:	-95.37
Dipole, Da:	4.74
IP(EA), eV:	-8.67(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-hexadecanoylphosphanyloxy-3-oxohexadecyl)-trimethylazanium

Drug info:

PubChemData

Smile

CCCCCNN1C2=C(C(=O)/C(=C/3\NC4=CC=CC=C4S(=O)(=O)N3)/C1=O)SC=C2

DOS

IR

Vibrations