Geometry & MOs

Info

ID:

99854

PubChem CID:

50055606

Reduced:

ClFN6O6C38H42 (1)

Stoich.:

ABC6D6E38F42 (1)

Weight, g/mol:

730.304574

ΔHf, kcal/mol:

-250.24

Dipole, Da:

6.92

IP(EA), eV:

 -9.1(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations