Geometry & MOs

Info

ID:

111439

PubChem CID:

50367569

Reduced:

NOC7H10 (6)

Stoich.:

ABC7D10 (6)

Weight, g/mol:

579.322083

ΔHf, kcal/mol:

-281.28

Dipole, Da:

5.32

IP(EA), eV:

 -8.83(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC)C

DOS

IR

Vibrations