Geometry & MOs

Info

ID:

108419

PubChem CID:

50244289

Reduced:

ClF4O4N5C35H36 (1)

Stoich.:

AB4C4D5E35F36 (1)

Weight, g/mol:

683.273082

ΔHf, kcal/mol:

-338.13

Dipole, Da:

5.58

IP(EA), eV:

 -8.98(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(F)(F)F)C

DOS

IR

Vibrations