Geometry & MOs

Info

ID:

112205

PubChem CID:

50398271

Reduced:

BrO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

575.310769

ΔHf, kcal/mol:

-205.52

Dipole, Da:

4.53

IP(EA), eV:

 -9.11(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)C(=O)N)C

DOS

IR

Vibrations