Geometry & MOs

Info

ID:	178187
PubChem CID:	76291185
Reduced:	FS2N5O5C20H22 (1)
Stoich.:	AB2C5D5E20F22 (1)
Weight, g/mol:	470.269319
ΔH_f, kcal/mol:	-166.21
Dipole, Da:	2.6
IP(EA), eV:	-9.12(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-N-[2-[5-[5-(3-fluorophenyl)pyrazolidin-3-yl]pentyl-methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CNC3=C2C=CC=N3)NS(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations