Geometry & MOs

Info

ID:	9027
PubChem CID:	85324
Reduced:	SO2C10H10 (1)
Stoich.:	AB2C10D10 (1)
Weight, g/mol:	194.040151
ΔH_f, kcal/mol:	-10.84
Dipole, Da:	7.14
IP(EA), eV:	-10.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-prop-2-ynylsulfonylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC#C

DOS

IR

Vibrations