Geometry & MOs

Info

ID:	107636
PubChem CID:	50212122
Reduced:	Cl2O3N4C27H34 (1)
Stoich.:	A2B3C4D27E34 (1)
Weight, g/mol:	507.284555
ΔH_f, kcal/mol:	-126.74
Dipole, Da:	4.51
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-ethylanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)Cl)C

DOS

IR

Vibrations