Geometry & MOs

Info

ID:	8914
PubChem CID:	83454
Reduced:	SN2O9C46H94 (1)
Stoich.:	AB2C9D46E94 (1)
Weight, g/mol:	850.668004
ΔH_f, kcal/mol:	-505.13
Dipole, Da:	20.34
IP(EA), eV:	-8.58(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]-methyl-(2-octadecanoyloxyethyl)azanium;methyl sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N(CC[N+](C)(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO.COS(=O)(=O)[O-]

DOS

IR

Vibrations