Geometry & MOs

Info

ID:

120637

PubChem CID:

50738167

Reduced:

ClO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-123.38

Dipole, Da:

10.4

IP(EA), eV:

 -8.78(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-chloro-2-methylanilino)-1-oxopropan-2-yl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations