Geometry & MOs

Info

ID:	116248
PubChem CID:	50552550
Reduced:	Cl3O4N5C30H36 (1)
Stoich.:	A3B4C5D30E36 (1)
Weight, g/mol:	660.259374
ΔH_f, kcal/mol:	-174.81
Dipole, Da:	10.19
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-bis[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations