Geometry & MOs

Info

ID:

94467

PubChem CID:

50001766

Reduced:

N5O6C33H47 (1)

Stoich.:

A5B6C33D47 (1)

Weight, g/mol:

577.362805

ΔHf, kcal/mol:

-260.46

Dipole, Da:

7.75

IP(EA), eV:

 -8.32(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2,4-dimethylanilino)-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)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations