Geometry & MOs

Info

ID:

110335

PubChem CID:

50320338

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-230.61

Dipole, Da:

5.53

IP(EA), eV:

 -8.8(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC(C)C

DOS

IR

Vibrations