Geometry & MOs

Info

ID:	114842
PubChem CID:	50498741
Reduced:	Cl3O4N5C25H28 (1)
Stoich.:	A3B4C5D25E28 (1)
Weight, g/mol:	513.214282
ΔH_f, kcal/mol:	-167.96
Dipole, Da:	10.33
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C(=CC=C1)Cl)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations