Geometry & MOs

Info

ID:	405360
PubChem CID:	135073606
Reduced:	SN2O5C14H18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	298.102751
ΔH_f, kcal/mol:	-146.64
Dipole, Da:	4.34
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4-trimethyl-5-[2-(4-methylphenyl)sulfonylethynyl]benzene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCCS(=O)(=O)/C(=C(\[O-])/OC)/[N+]#N

DOS

IR

Vibrations