Geometry & MOs

Info

ID:	143762
PubChem CID:	53257062
Reduced:	SF3N3O6H18C21 (1)
Stoich.:	AB3C3D6E18F21 (1)
Weight, g/mol:	573.118141
ΔH_f, kcal/mol:	-310.63
Dipole, Da:	10.93
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(phenoxymethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations