Geometry & MOs

Info

ID:	119562
PubChem CID:	50690256
Reduced:	Cl2N5O5C28H33 (1)
Stoich.:	A2B5C5D28E33 (1)
Weight, g/mol:	559.17531
ΔH_f, kcal/mol:	-194.42
Dipole, Da:	8.22
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-carbamoyl-4-chlorophenyl)-1-[2-[2-chloro-5-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCOCC2)Cl)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC

DOS

IR

Vibrations