Geometry & MOs

Info

ID:

90981

PubChem CID:

49972725

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-234.63

Dipole, Da:

5.52

IP(EA), eV:

 -8.74(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-ethylanilino)-3-oxopropyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations