Geometry & MOs

Info

ID:	153102
PubChem CID:	56312235
Reduced:	ClSN3O3C17H20 (1)
Stoich.:	ABC3D3E17F20 (1)
Weight, g/mol:	471.143962
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	5.43
IP(EA), eV:	-7.93(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCC(C2)CNS(=O)(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations