Geometry & MOs

Info

ID:	10495
PubChem CID:	103117
Reduced:	NSO6C23H47 (2)
Stoich.:	ABC6D23E47 (2)
Weight, g/mol:	930.624819
ΔH_f, kcal/mol:	-679.97
Dipole, Da:	6.37
IP(EA), eV:	-8.54(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl hydrogen sulfate;2-[4-(2-octadecanoyloxyethyl)piperazin-1-yl]ethyl octadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCCN1CCN(CC1)CCOC(=O)CCCCCCCCCCCCCCCCC.COS(=O)(=O)O.COS(=O)(=O)O

DOS

IR

Vibrations