Geometry & MOs

Info

ID:

111072

PubChem CID:

50351214

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-269.36

Dipole, Da:

3.78

IP(EA), eV:

 -8.79(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=C(C=C5)F)F)C

DOS

IR

Vibrations