Geometry & MOs

Info

ID:

120389

PubChem CID:

50725333

Reduced:

ClO4N5C28H34 (1)

Stoich.:

AB4C5D28E34 (1)

Weight, g/mol:

756.263852

ΔHf, kcal/mol:

-140.41

Dipole, Da:

4.16

IP(EA), eV:

 -9.17(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-fluoro-3-[(3-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations