Geometry & MOs

Info

ID:

110808

PubChem CID:

50340646

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-231.4

Dipole, Da:

6.26

IP(EA), eV:

 -8.83(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NCC(C)C

DOS

IR

Vibrations