Geometry & MOs

Info

ID:	184488
PubChem CID:	77168408
Reduced:	OF3N6H25C29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	443.140259
ΔH_f, kcal/mol:	10.2
Dipole, Da:	11.72
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(2-cyclopentyloxy-2-oxo-1-phenylethyl)sulfamoyl]phenyl]-2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=C3C=CC=C(C3=N2)C(F)(F)F)C4=CC(=CC=C4)OCC5=CC=C(C=C5)C6NNNN6

DOS

IR

Vibrations