Geometry & MOs

Info

ID:	155477
PubChem CID:	56365785
Reduced:	BrO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	436.110436
ΔH_f, kcal/mol:	-57.45
Dipole, Da:	6.76
IP(EA), eV:	-9.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-4-[[2-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]phenoxy]butanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC2=CC=C(C=C2)Br)NC(=O)C3CC(=O)N(C3)CC4=CC=CC=N4

DOS

IR

Vibrations