Geometry & MOs

Info

ID:

105546

PubChem CID:

50111254

Reduced:

F2O5N6C34H36 (1)

Stoich.:

A2B5C6D34E36 (1)

Weight, g/mol:

610.290368

ΔHf, kcal/mol:

-247.47

Dipole, Da:

10.44

IP(EA), eV:

 -8.85(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[2-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations