Geometry & MOs

Info

ID:

109711

PubChem CID:

50294989

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-225.47

Dipole, Da:

5.43

IP(EA), eV:

 -8.82(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)N6CCCCC6

DOS

IR

Vibrations