Geometry & MOs

Info

ID:	411673
PubChem CID:	135084507
Reduced:	SO4C11H16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	214.066365
ΔH_f, kcal/mol:	-145.41
Dipole, Da:	3.27
IP(EA), eV:	-9.17(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-prop-2-enylsulfinylpent-2-ynoate

Drug info:

PubChemData

Smile

COCC(COC)OC(=O)CC1=CC=CS1

DOS

IR

Vibrations