Geometry & MOs

Info

ID:

119284

PubChem CID:

50676621

Reduced:

ClFO5N6C39H44 (1)

Stoich.:

ABC5D6E39F44 (1)

Weight, g/mol:

730.304574

ΔHf, kcal/mol:

-225.89

Dipole, Da:

5.63

IP(EA), eV:

 -9.13(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NCC6=CC=C(C=C6)F

DOS

IR

Vibrations