Geometry & MOs

Info

ID:

118526

PubChem CID:

50645782

Reduced:

ClN4O4C28H35 (1)

Stoich.:

AB4C4D28E35 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-149.37

Dipole, Da:

4.72

IP(EA), eV:

 -8.89(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations