Geometry & MOs

Info

ID:	28471
PubChem CID:	827788
Reduced:	SO5H10C15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	253.95786
ΔH_f, kcal/mol:	-133.83
Dipole, Da:	8.69
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromofuran-2-yl)methylidene]-5-methylfuran-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)OC(=O)S3

DOS

IR

Vibrations