Geometry & MOs

Info

ID:	158961
PubChem CID:	57244304
Reduced:	ClNSO5C18H18 (1)
Stoich.:	ABCD5E18F18 (1)
Weight, g/mol:	306.002051
ΔH_f, kcal/mol:	-177.62
Dipole, Da:	2.3
IP(EA), eV:	-9.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-3-sulfanylidene-2-benzofuran-1-sulfonic acid

Drug info:

PubChemData

Smile

C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)Cl)C=CC=C2C(C(=O)O)O

DOS

IR

Vibrations