Geometry & MOs

Info

ID:

120008

PubChem CID:

50711440

Reduced:

ClN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-231.65

Dipole, Da:

6.43

IP(EA), eV:

 -8.47(-0.67)

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-[3-[(2-fluorobenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl)NC(=O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations