Geometry & MOs

Info

ID:	155461
PubChem CID:	56365697
Reduced:	SCl2N2O2H16C19 (1)
Stoich.:	AB2C2D2E16F19 (1)
Weight, g/mol:	456.100265
ΔH_f, kcal/mol:	-6.01
Dipole, Da:	3.95
IP(EA), eV:	-9.09(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-carbamoyl-4,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenoxy]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN(C2=CC=CC=C2)S(=O)(=O)C3=C(N=C(C=C3)Cl)Cl

DOS

IR

Vibrations