Geometry & MOs

Info

ID:

109481

PubChem CID:

50286196

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-228.24

Dipole, Da:

3.33

IP(EA), eV:

 -8.35(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-methyl-3-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)OC)C

DOS

IR

Vibrations