Geometry & MOs

Info

ID:

113458

PubChem CID:

50446381

Reduced:

F2N6O6C43H46 (1)

Stoich.:

A2B6C6D43E46 (1)

Weight, g/mol:

774.315281

ΔHf, kcal/mol:

-267.06

Dipole, Da:

8.97

IP(EA), eV:

 -8.76(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6F)OC)C

DOS

IR

Vibrations