Geometry & MOs

Info

ID:	161097
PubChem CID:	57390757
Reduced:	SCl2N3O6H25C27 (1)
Stoich.:	AB2C3D6E25F27 (1)
Weight, g/mol:	590.068128
ΔH_f, kcal/mol:	-181.7
Dipole, Da:	6.96
IP(EA), eV:	-9.21(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[4-(butylcarbamoyl)-2-[(2,4-dichlorophenyl)sulfonylamino]phenoxy]-1-benzofuran-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)C(=CN3)CC(=O)O)NS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations