Geometry & MOs

Info

ID:

112168

PubChem CID:

50397872

Reduced:

F2O5N6C42H50 (1)

Stoich.:

A2B5C6D42E50 (1)

Weight, g/mol:

752.406147

ΔHf, kcal/mol:

-267.73

Dipole, Da:

4.03

IP(EA), eV:

 -8.95(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=CC=C6F)F)C)C

DOS

IR

Vibrations