Geometry & MOs

Info

ID:	385154
PubChem CID:	134978416
Reduced:	NPSO6C47H86 (1)
Stoich.:	ABCD6E47F86 (1)
Weight, g/mol:	811.492636
ΔH_f, kcal/mol:	-485.77
Dipole, Da:	2.59
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;[2-(octadecanoylamino)-1-phosphonatosulfanyloctadecan-3-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(CSP(=O)(OCC)OCC)C(CCCCCCCCCCCCCCC)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations