Geometry & MOs

Info

ID:

90569

PubChem CID:

49970406

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-208.31

Dipole, Da:

4.1

IP(EA), eV:

 -8.68(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC=C5C(=O)N(C)C)C

DOS

IR

Vibrations