Geometry & MOs

Info

ID:

92831

PubChem CID:

49989767

Reduced:

O5N6C41H56 (1)

Stoich.:

A5B6C41D56 (1)

Weight, g/mol:

740.369761

ΔHf, kcal/mol:

-237.46

Dipole, Da:

10.64

IP(EA), eV:

 -8.94(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-fluoro-5-[(3-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)C

DOS

IR

Vibrations