Geometry & MOs

Info

ID:

112167

PubChem CID:

50397871

Reduced:

F2O5N6C42H50 (1)

Stoich.:

A2B5C6D42E50 (1)

Weight, g/mol:

756.381075

ΔHf, kcal/mol:

-281.47

Dipole, Da:

11.1

IP(EA), eV:

 -8.91(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2,6-difluorophenyl)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(=C6)F)F)C)C

DOS

IR

Vibrations