Geometry & MOs

Info

ID:

118192

PubChem CID:

50632526

Reduced:

ClFN6O6C36H42 (1)

Stoich.:

ABC6D6E36F42 (1)

Weight, g/mol:

756.263852

ΔHf, kcal/mol:

-259.32

Dipole, Da:

4.32

IP(EA), eV:

 -8.97(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)OC)Cl

DOS

IR

Vibrations