Geometry & MOs

Info

ID:	225847
PubChem CID:	87235682
Reduced:	SCl2N2O4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	611.540632
ΔH_f, kcal/mol:	-116.69
Dipole, Da:	4.73
IP(EA), eV:	-8.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-oxo-1-(trimethylazaniumyl)hexadecan-2-yl]oxyphosphanylideneoctadecan-1-olate

Drug info:

PubChemData

Smile

C/C(=C\C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)Cl)Cl)/C(=O)O

DOS

IR

Vibrations