Geometry & MOs

Info

ID:

116607

PubChem CID:

50567980

Reduced:

ClN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-240.98

Dipole, Da:

9.79

IP(EA), eV:

 -8.94(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC=C1C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations