Geometry & MOs

Info

ID:	60722
PubChem CID:	26697510
Reduced:	ClSN3O5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-91.87
Dipole, Da:	5.58
IP(EA), eV:	-9.34(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations