Geometry & MOs

Info

ID:

111533

PubChem CID:

50371506

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

587.347155

ΔHf, kcal/mol:

-246.87

Dipole, Da:

2.89

IP(EA), eV:

 -8.41(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(2,6-dimethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations