Geometry & MOs

Info

ID:

111216

PubChem CID:

50358422

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-267.26

Dipole, Da:

11.9

IP(EA), eV:

 -8.74(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoylanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)OC)C

DOS

IR

Vibrations