Geometry & MOs

Info

ID:

119389

PubChem CID:

50682552

Reduced:

ClN6O7C39H47 (1)

Stoich.:

AB6C7D39E47 (1)

Weight, g/mol:

716.308911

ΔHf, kcal/mol:

-255.25

Dipole, Da:

7.58

IP(EA), eV:

 -8.34(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)NC(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations