Geometry & MOs

Info

ID:	400088
PubChem CID:	135045242
Reduced:	SO3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-118.81
Dipole, Da:	9.95
IP(EA), eV:	-7.71(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-oxobutoxy)-3H-2-benzofuran-1-one

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=S2CCCC2)CCCO)C(=O)C

DOS

IR

Vibrations