Geometry & MOs

Info

ID:

113024

PubChem CID:

50429417

Reduced:

FO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

571.297011

ΔHf, kcal/mol:

-230.39

Dipole, Da:

10.12

IP(EA), eV:

 -8.75(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(2,6-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)F)C

DOS

IR

Vibrations