Geometry & MOs

Info

ID:	298001
PubChem CID:	117645692
Reduced:	OC5H9 (2)
Stoich.:	AB5C9 (2)
Weight, g/mol:	212.050715
ΔH_f, kcal/mol:	-110.94
Dipole, Da:	2.3
IP(EA), eV:	-10.09(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylbut-1-ene-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)/C(=C\C)/CC

DOS

IR

Vibrations