Geometry & MOs

Info

ID:	116970
PubChem CID:	50582969
Reduced:	ClO5N6C31H39 (1)
Stoich.:	AB5C6D31E39 (1)
Weight, g/mol:	573.19096
ΔH_f, kcal/mol:	-198.65
Dipole, Da:	4.3
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-3-chlorophenyl)-1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations