Geometry & MOs

Info

ID:

108149

PubChem CID:

50231875

Reduced:

F4O5N6C42H42 (1)

Stoich.:

A4B5C6D42E42 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-325.34

Dipole, Da:

8.22

IP(EA), eV:

 -8.93(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-6-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=C(C=CC(=C6)F)F)C

DOS

IR

Vibrations