Geometry & MOs

Info

ID:	141471
PubChem CID:	52880555
Reduced:	NSO6H17C20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	425.056923
ΔH_f, kcal/mol:	-159.6
Dipole, Da:	9.67
IP(EA), eV:	-9.06(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

5-[(5-carboxylato-2-phenoxyphenyl)sulfamoyl]-2-methylbenzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)OC3=CC=CC=C3

DOS

IR

Vibrations