Geometry & MOs

Info

ID:

110754

PubChem CID:

50338947

Reduced:

F3O5N6C38H43 (1)

Stoich.:

A3B5C6D38E43 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-317.09

Dipole, Da:

9.25

IP(EA), eV:

 -8.73(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,4-dimethylanilino)-3-oxopropyl]-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)C(C)C)F

DOS

IR

Vibrations