Geometry & MOs

Info

ID:	386411
PubChem CID:	134981657
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	364.047307
ΔH_f, kcal/mol:	-118.81
Dipole, Da:	7.67
IP(EA), eV:	-10.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

but-1-ynylbenzene;carbanide;dioxorhenium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C/C=C\C(C(C)C)O

DOS

IR

Vibrations