Geometry & MOs

Info

ID:

119882

PubChem CID:

50706150

Reduced:

ClO5N6C41H43 (1)

Stoich.:

AB5C6D41E43 (1)

Weight, g/mol:

673.226739

ΔHf, kcal/mol:

-149.19

Dipole, Da:

5.59

IP(EA), eV:

 -8.5(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-[(2,6-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)Cl

DOS

IR

Vibrations