Geometry & MOs

Info

ID:

120038

PubChem CID:

50711976

Reduced:

ClN4O4C27H35 (1)

Stoich.:

AB4C4D27E35 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-155.63

Dipole, Da:

3.2

IP(EA), eV:

 -8.85(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations