Geometry & MOs

Info

ID:	139702
PubChem CID:	52582475
Reduced:	N3O5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	451.94152
ΔH_f, kcal/mol:	-179.88
Dipole, Da:	2.03
IP(EA), eV:	-8.38(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[4-bromo-3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)[C@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations