Geometry & MOs

Info

ID:

120160

PubChem CID:

50716115

Reduced:

ClFO4N5C33H41 (1)

Stoich.:

ABC4D5E33F41 (1)

Weight, g/mol:

639.298761

ΔHf, kcal/mol:

-220.7

Dipole, Da:

4.12

IP(EA), eV:

 -9.08(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(4-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC2CCCCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations