Geometry & MOs

Info

ID:

94532

PubChem CID:

50002146

Reduced:

O5N6C32H44 (1)

Stoich.:

A5B6C32D44 (1)

Weight, g/mol:

577.362805

ΔHf, kcal/mol:

-224.48

Dipole, Da:

8.32

IP(EA), eV:

 -8.77(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2-ethylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC=C3C(=O)N)C

DOS

IR

Vibrations