Geometry & MOs

Info

ID:

94519

PubChem CID:

50002119

Reduced:

O4N5C33H47 (1)

Stoich.:

A4B5C33D47 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-186.08

Dipole, Da:

6.71

IP(EA), eV:

 -8.75(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations