Geometry & MOs

Info

ID:

99833

PubChem CID:

50055313

Reduced:

ClFO5N6C41H42 (1)

Stoich.:

ABC5D6E41F42 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-199.24

Dipole, Da:

5.46

IP(EA), eV:

 -8.8(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations