Geometry & MOs

Info

ID:

112130

PubChem CID:

50396246

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

646.347883

ΔHf, kcal/mol:

-213.51

Dipole, Da:

11.24

IP(EA), eV:

 -8.73(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCC5

DOS

IR

Vibrations