Geometry & MOs

Info

ID:	229786
PubChem CID:	87569013
Reduced:	NSO3C6H13 (1)
Stoich.:	ABC3D6E13 (1)
Weight, g/mol:	1237.056159
ΔH_f, kcal/mol:	-160.98
Dipole, Da:	2.13
IP(EA), eV:	-9.36(0.05)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

sodium;12-hydroxyoctadecanoate;tricyclohexyl-[4-oxo-2-[2-oxo-2-(tricyclohexylazaniumyl)ethyl]-4-(tricyclohexylazaniumyl)butanoyl]azanium

Drug info:

PubChemData

Smile

CCC(N[C@@H](CC(=O)O)S)O

DOS

IR

Vibrations