Geometry & MOs

Info

ID:	146056
PubChem CID:	53628673
Reduced:	SN2O2F3C21H25 (1)
Stoich.:	AB2C2D3E21F25 (1)
Weight, g/mol:	101.039125
ΔH_f, kcal/mol:	-202.48
Dipole, Da:	6.19
IP(EA), eV:	-8.6(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

octa-1,3,5-triyne

Drug info:

PubChemData

Smile

CCCN1CC(C1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(F)(F)F

DOS

IR

Vibrations