Geometry & MOs

Info

ID:

102581

PubChem CID:

50068253

Reduced:

FO5N6C43H53 (1)

Stoich.:

AB5C6D43E53 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-244.49

Dipole, Da:

4.11

IP(EA), eV:

 -8.81(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=CC=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)C)F)C

DOS

IR

Vibrations