Geometry & MOs

Info

ID:

111409

PubChem CID:

50365826

Reduced:

N6O6C37H44 (1)

Stoich.:

A6B6C37D44 (1)

Weight, g/mol:

660.363533

ΔHf, kcal/mol:

-206.37

Dipole, Da:

2.36

IP(EA), eV:

 -8.97(-0.42)

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-[5-(dimethylcarbamoyl)-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations