Geometry & MOs

Info

ID:

111610

PubChem CID:

50374875

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-234.29

Dipole, Da:

6.01

IP(EA), eV:

 -8.78(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations