Geometry & MOs

Info

ID:

117182

PubChem CID:

50594073

Reduced:

ClO5N6C38H43 (1)

Stoich.:

AB5C6D38E43 (1)

Weight, g/mol:

716.288924

ΔHf, kcal/mol:

-172.07

Dipole, Da:

10.24

IP(EA), eV:

 -8.75(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)NC(=O)C6=CC=CC=C6)Cl

DOS

IR

Vibrations