Geometry & MOs

Info

ID:	412865
PubChem CID:	135085794
Reduced:	NaSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	244.0381
ΔH_f, kcal/mol:	-175.57
Dipole, Da:	11.17
IP(EA), eV:	-9.89(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hepta-1,6-dien-2-yl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@H](C#CC1=CC=CC=C1)OS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations