Geometry & MOs

Info

ID:	444536
PubChem CID:	135262755
Reduced:	ClN3O3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	453.205242
ΔH_f, kcal/mol:	-67.27
Dipole, Da:	3.5
IP(EA), eV:	-8.09(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dioxo-1H-indol-5-yl)-N-[phenyl-(2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)Cl)NC(=O)CC3=CC4=C(C=C3)NC(=O)C4)N5CCCCC5

DOS

IR

Vibrations