Geometry & MOs

Info

ID:

110614

PubChem CID:

50332600

Reduced:

FO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

756.381075

ΔHf, kcal/mol:

-232.33

Dipole, Da:

6.97

IP(EA), eV:

 -8.73(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylphenyl]-1-[1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)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)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC(=CC=C6)F)C

DOS

IR

Vibrations