Geometry & MOs

Info

ID:

111382

PubChem CID:

50363950

Reduced:

FO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

696.343547

ΔHf, kcal/mol:

-218.82

Dipole, Da:

5.41

IP(EA), eV:

 -8.36(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluorobenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F)C(=O)N6CCCCC6

DOS

IR

Vibrations