Geometry & MOs

Info

ID:	114925
PubChem CID:	50501991
Reduced:	Cl2O4N5C24H27 (1)
Stoich.:	A2B4C5D24E27 (1)
Weight, g/mol:	563.09349
ΔH_f, kcal/mol:	-157.96
Dipole, Da:	6.87
IP(EA), eV:	-8.5(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-bromoanilino)-2-oxoethyl]-1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl

DOS

IR

Vibrations