Geometry & MOs

Info

ID:

112197

PubChem CID:

50398193

Reduced:

O5N6C41H50 (1)

Stoich.:

A5B6C41D50 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-184.24

Dipole, Da:

3.77

IP(EA), eV:

 -8.69(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(3-fluorophenyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6CCCCC6

DOS

IR

Vibrations