Geometry & MOs

Info

ID:	412923
PubChem CID:	135085860
Reduced:	NaSO4C6H9 (1)
Stoich.:	ABC4D6E9 (1)
Weight, g/mol:	178.02998
ΔH_f, kcal/mol:	-193.56
Dipole, Da:	11.01
IP(EA), eV:	-10.37(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-hex-4-yn-3-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC[C@H](C#CC)OS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations