Geometry & MOs

Info

ID:	412901
PubChem CID:	135085838
Reduced:	NO2C12H23 (1)
Stoich.:	AB2C12D23 (1)
Weight, g/mol:	228.043224
ΔH_f, kcal/mol:	-136.86
Dipole, Da:	1.45
IP(EA), eV:	-9.85(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[(3S)-oct-1-yn-3-yl] sulfate

Drug info:

PubChemData

Smile

CCCCCCC(CC(=O)C)NC(=O)C

DOS

IR

Vibrations