Geometry & MOs

Info

ID:

90198

PubChem CID:

49967627

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-188.76

Dipole, Da:

5.38

IP(EA), eV:

 -8.36(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-ethyl-6-methylanilino)-3-oxopropyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC(=C5)C

DOS

IR

Vibrations