Geometry & MOs

Info

ID:	114926
PubChem CID:	50501992
Reduced:	BrClO4N5C24H27 (1)
Stoich.:	ABC4D5E24F27 (1)
Weight, g/mol:	529.209197
ΔH_f, kcal/mol:	-141.08
Dipole, Da:	4.95
IP(EA), eV:	-9.11(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations