Geometry & MOs

Info

ID:

112244

PubChem CID:

50399926

Reduced:

FO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

594.296597

ΔHf, kcal/mol:

-257.06

Dipole, Da:

6.81

IP(EA), eV:

 -8.8(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-acetamido-2-fluoroanilino)-2-oxoethyl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCC4

DOS

IR

Vibrations