Geometry & MOs

Info

ID:

93302

PubChem CID:

49993102

Reduced:

O5N6C42H58 (1)

Stoich.:

A5B6C42D58 (1)

Weight, g/mol:

704.406147

ΔHf, kcal/mol:

-232.34

Dipole, Da:

8.41

IP(EA), eV:

 -8.92(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC(=C2NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C)C

DOS

IR

Vibrations