Geometry & MOs

Info

ID:

91183

PubChem CID:

49973946

Reduced:

N4O5C27H34 (1)

Stoich.:

A4B5C27D34 (1)

Weight, g/mol:

742.365425

ΔHf, kcal/mol:

-170.83

Dipole, Da:

6.44

IP(EA), eV:

 -8.66(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(3-fluorobenzoyl)amino]phenyl]-1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]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)NC4=CC=CC=C4OC

DOS

IR

Vibrations