Geometry & MOs

Info

ID:

114316

PubChem CID:

50478737

Reduced:

ClFO5N6C41H48 (1)

Stoich.:

ABC5D6E41F48 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-237.54

Dipole, Da:

4.6

IP(EA), eV:

 -9.0(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(propylcarbamoyl)phenyl]-1-[1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC(=CC=C6)F

DOS

IR

Vibrations