Geometry & MOs

Info

ID:

116427

PubChem CID:

50559881

Reduced:

ClFN6O6C38H42 (1)

Stoich.:

ABC6D6E38F42 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-240.86

Dipole, Da:

8.55

IP(EA), eV:

 -8.98(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[(4-fluorophenyl)methylcarbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations