Geometry & MOs

Info

ID:

104461

PubChem CID:

50104336

Reduced:

FO5N6C41H49 (1)

Stoich.:

AB5C6D41E49 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-226.99

Dipole, Da:

6.63

IP(EA), eV:

 -8.86(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6F)C

DOS

IR

Vibrations