Geometry & MOs

Info

ID:	217738
PubChem CID:	85088298
Reduced:	ClOS2N3C18H20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	393.97021
ΔH_f, kcal/mol:	21.38
Dipole, Da:	4.82
IP(EA), eV:	-8.83(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-[(4-iodophenyl)methylidene]-6-methoxy-1-benzofuran-3-one

Drug info:

PubChemData

Smile

CCSC1=NC=C(C=C1)C(=CC2CCCC2)C(=O)NC3=NC=C(S3)Cl

DOS

IR

Vibrations