Geometry & MOs

Info

ID:

94884

PubChem CID:

50004586

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

567.322083

ΔHf, kcal/mol:

-188.94

Dipole, Da:

8.3

IP(EA), eV:

 -8.73(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(3-fluoro-4-methylanilino)-1-oxopropan-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)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations