Geometry & MOs

Info

ID:

108401

PubChem CID:

50243648

Reduced:

F3O5N6C43H45 (1)

Stoich.:

A3B5C6D43E45 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-292.17

Dipole, Da:

11.89

IP(EA), eV:

 -8.82(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations