Geometry & MOs

Info

ID:

94292

PubChem CID:

49999413

Reduced:

ClO5N6C42H57 (1)

Stoich.:

AB5C6D42E57 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-240.48

Dipole, Da:

5.82

IP(EA), eV:

 -9.03(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6C)C

DOS

IR

Vibrations