Geometry & MOs

Info

ID:

92450

PubChem CID:

49986395

Reduced:

ClO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

554.267525

ΔHf, kcal/mol:

-182.79

Dipole, Da:

7.2

IP(EA), eV:

 -8.76(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations