Geometry & MOs

Info

ID:

116371

PubChem CID:

50558281

Reduced:

ClF2O5N6C37H39 (1)

Stoich.:

AB2C5D6E37F39 (1)

Weight, g/mol:

720.263852

ΔHf, kcal/mol:

-251.43

Dipole, Da:

7.52

IP(EA), eV:

 -8.73(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(3-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=C(C=C6)F)Cl

DOS

IR

Vibrations