Geometry & MOs

Info

ID:

116373

PubChem CID:

50558283

Reduced:

ClFN6O6C38H42 (1)

Stoich.:

ABC6D6E38F42 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-239.23

Dipole, Da:

8.86

IP(EA), eV:

 -8.94(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCCC6)F

DOS

IR

Vibrations