Geometry & MOs

Info

ID:

112254

PubChem CID:

50400260

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-219.36

Dipole, Da:

4.27

IP(EA), eV:

 -8.7(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)F)C(=O)N6CCCCC6

DOS

IR

Vibrations