Geometry & MOs

Info

ID:

109483

PubChem CID:

50286293

Reduced:

FO5N6C44H57 (1)

Stoich.:

AB5C6D44E57 (1)

Weight, g/mol:

728.406147

ΔHf, kcal/mol:

-264.1

Dipole, Da:

8.37

IP(EA), eV:

 -8.64(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC(=C2NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=C(C=C5)C)F)C)C

DOS

IR

Vibrations