Geometry & MOs

Info

ID:

116808

PubChem CID:

50576279

Reduced:

ClFO5N6C36H46 (1)

Stoich.:

ABC5D6E36F46 (1)

Weight, g/mol:

682.304574

ΔHf, kcal/mol:

-267.19

Dipole, Da:

8.53

IP(EA), eV:

 -8.77(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-fluoro-5-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations