Geometry & MOs

Info

ID:

114997

PubChem CID:

50505269

Reduced:

F2O5N6C43H46 (1)

Stoich.:

A2B5C6D43E46 (1)

Weight, g/mol:

535.179788

ΔHf, kcal/mol:

-248.24

Dipole, Da:

4.42

IP(EA), eV:

 -8.99(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]-N-[3-(2,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC(=C(C=C6)C)F

DOS

IR

Vibrations