Geometry & MOs

Info

ID:

116474

PubChem CID:

50562279

Reduced:

ClN6O6C39H51 (1)

Stoich.:

AB6C6D39E51 (1)

Weight, g/mol:

734.275024

ΔHf, kcal/mol:

-256.37

Dipole, Da:

9.56

IP(EA), eV:

 -8.98(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-chloro-3-[(4-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations