Geometry & MOs

Info

ID:	406192
PubChem CID:	135076854
Reduced:	SO3F5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	214.084993
ΔH_f, kcal/mol:	-323.96
Dipole, Da:	3.58
IP(EA), eV:	-9.57(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hept-1-ynyl-1,3-dithiane

Drug info:

PubChemData

Smile

C1CC=C(C(C1)(CC2=CC(=CC=C2)F)CC3=CC(=CC=C3)F)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations