Geometry & MOs

Info

ID:	105479
PubChem CID:	50111010
Reduced:	ClO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-164.1
Dipole, Da:	9.89
IP(EA), eV:	-8.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations