Geometry & MOs

Info

ID:

105582

PubChem CID:

50126516

Reduced:

ClFO5N6C39H44 (1)

Stoich.:

ABC5D6E39F44 (1)

Weight, g/mol:

752.288924

ΔHf, kcal/mol:

-227.93

Dipole, Da:

4.14

IP(EA), eV:

 -8.79(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)N6CCCCC6

DOS

IR

Vibrations