Geometry & MOs

Info

ID:	110483
PubChem CID:	50326119
Reduced:	Cl2O4N5C24H27 (1)
Stoich.:	A2B4C5D24E27 (1)
Weight, g/mol:	557.16377
ΔH_f, kcal/mol:	-158.29
Dipole, Da:	6.96
IP(EA), eV:	-9.03(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromo-2,6-dimethylanilino)-2-oxoethyl]-1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)N

DOS

IR

Vibrations