Geometry & MOs

Info

ID:

102949

PubChem CID:

50070256

Reduced:

FO4N5C33H36 (1)

Stoich.:

AB4C5D33E36 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-138.71

Dipole, Da:

12.5

IP(EA), eV:

 -8.68(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-1-[1-[2-[5-[(4-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=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations