Geometry & MOs

Info

ID:

91121

PubChem CID:

49973438

Reduced:

ClN6O6C37H47 (1)

Stoich.:

AB6C6D37E47 (1)

Weight, g/mol:

716.313389

ΔHf, kcal/mol:

-250.51

Dipole, Da:

8.81

IP(EA), eV:

 -9.1(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(3-fluorobenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NC6CCCC6)Cl

DOS

IR

Vibrations