Geometry & MOs

Info

ID:

94703

PubChem CID:

50003366

Reduced:

N5O5C32H43 (1)

Stoich.:

A5B5C32D43 (1)

Weight, g/mol:

581.337733

ΔHf, kcal/mol:

-199.97

Dipole, Da:

7.71

IP(EA), eV:

 -8.06(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(4-fluoro-2-methylanilino)-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)N3CCCC3C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations