Geometry & MOs

Info

ID:	151706
PubChem CID:	56269727
Reduced:	S2O3N4C17H18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	459.156099
ΔH_f, kcal/mol:	-29.7
Dipole, Da:	6.99
IP(EA), eV:	-8.79(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-nitrophenoxy)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=CC(=C2)NC(=O)C(C)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations