Geometry & MOs

Info

ID:

115920

PubChem CID:

50539269

Reduced:

ClN6O6C36H47 (1)

Stoich.:

AB6C6D36E47 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-261.87

Dipole, Da:

6.11

IP(EA), eV:

 -8.98(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[4-fluoro-3-[(3-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC=C4C(=O)N5CCOCC5)C)Cl

DOS

IR

Vibrations