Geometry & MOs

Info

ID:	140561
PubChem CID:	52719107
Reduced:	ClF2O2N4H21C24 (1)
Stoich.:	AB2C2D4E21F24 (1)
Weight, g/mol:	436.239579
ΔH_f, kcal/mol:	-52.06
Dipole, Da:	7.5
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxypiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N(C)CCCC3=CC(=NN3)C4=CC(=CC=C4)F

DOS

IR

Vibrations