Geometry & MOs

Info

ID:	435555
PubChem CID:	135191794
Reduced:	ClSO3N4H9C14 (1)
Stoich.:	ABC3D4E9F14 (1)
Weight, g/mol:	310.047738
ΔH_f, kcal/mol:	31.04
Dipole, Da:	6.73
IP(EA), eV:	-9.05(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1,3-dioxo-2-benzofuran-5-yl)-2-formylbenzoate

Drug info:

PubChemData

Smile

C1=CC2=NON=C2C(=C1)NS(=O)(=O)C3=CNC4=C3C=CC(=C4)Cl

DOS

IR

Vibrations