Geometry & MOs

Info

ID:	403276
PubChem CID:	135059500
Reduced:	O2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	298.014724
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	1.93
IP(EA), eV:	-8.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-formyl-6-methylsulfonyloxy-1-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC3=C(O2)C=CC(=C3)C

DOS

IR

Vibrations