Geometry & MOs

Info

ID:

105717

PubChem CID:

50139267

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

688.318475

ΔHf, kcal/mol:

-229.58

Dipole, Da:

5.69

IP(EA), eV:

 -8.85(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCCC4)C)NC(=O)C5CCCCC5

DOS

IR

Vibrations