Geometry & MOs

Info

ID:	38223
PubChem CID:	8028180
Reduced:	NSO4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	375.077658
ΔH_f, kcal/mol:	-86.49
Dipole, Da:	3.3
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]2CC3([C@@H]1C=C2)COC(OC3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations