Geometry & MOs

Info

ID:

111542

PubChem CID:

50371762

Reduced:

FN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-268.08

Dipole, Da:

12.29

IP(EA), eV:

 -8.3(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-acetamido-3-chloroanilino)-3-oxopropyl]-1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)OC)C(=O)NC6CCCCC6

DOS

IR

Vibrations