Geometry & MOs

Info

ID:	60739
PubChem CID:	26697531
Reduced:	ClSN3O6C19H20 (1)
Stoich.:	ABC3D6E19F20 (1)
Weight, g/mol:	446.067876
ΔH_f, kcal/mol:	-135.57
Dipole, Da:	10.88
IP(EA), eV:	-9.45(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-cyclopentylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCCC3

DOS

IR

Vibrations