Geometry & MOs

Info

ID:

107372

PubChem CID:

50200550

Reduced:

F2O5N6C42H44 (1)

Stoich.:

A2B5C6D42E44 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-228.2

Dipole, Da:

5.17

IP(EA), eV:

 -9.04(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3-fluoro-4-methylphenyl)carbamoyl]-6-methylphenyl]-1-[1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)C(=O)NCC6=CC=C(C=C6)F)C

DOS

IR

Vibrations