Geometry & MOs

Info

ID:	172087
PubChem CID:	75464479
Reduced:	SN3O4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	396.157288
ΔH_f, kcal/mol:	-24.66
Dipole, Da:	2.1
IP(EA), eV:	-8.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-2-[(4-butoxy-3-ethoxyphenyl)methylidene]-3-oxo-1-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=C(C=CC(=C4)OC)OC)/SC3=N2

DOS

IR

Vibrations