Geometry & MOs

Info

ID:

120304

PubChem CID:

50721691

Reduced:

ClN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

520.205275

ΔHf, kcal/mol:

-221.94

Dipole, Da:

8.33

IP(EA), eV:

 -8.3(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)NC(=O)C2CCCCC2)OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations