Geometry & MOs

Info

ID:

93564

PubChem CID:

49995531

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

664.374847

ΔHf, kcal/mol:

-278.6

Dipole, Da:

3.32

IP(EA), eV:

 -8.71(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations