Geometry & MOs

Info

ID:	15777
PubChem CID:	450355
Reduced:	NOSC11H23 (2)
Stoich.:	ABCD11E23 (2)
Weight, g/mol:	434.300071
ΔH_f, kcal/mol:	-165.73
Dipole, Da:	4.0
IP(EA), eV:	-8.66(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-bis(2-sulfanylethylamino)octadecanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC(C(CCCCCCCC(=O)O)NCCS)NCCS

DOS

IR

Vibrations