Geometry & MOs

Info

ID:

112169

PubChem CID:

50397873

Reduced:

FO5N6C43H53 (1)

Stoich.:

AB5C6D43E53 (1)

Weight, g/mol:

752.406147

ΔHf, kcal/mol:

-236.18

Dipole, Da:

11.8

IP(EA), eV:

 -8.78(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-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(=C6)F)C)C)C

DOS

IR

Vibrations