Geometry & MOs

Info

ID:	117479
PubChem CID:	50604204
Reduced:	ClO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	563.09349
ΔH_f, kcal/mol:	-144.79
Dipole, Da:	6.33
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations