Geometry & MOs

Info

ID:

110045

PubChem CID:

50306896

Reduced:

FN3O3C21H23 (2)

Stoich.:

AB3C3D21E23 (2)

Weight, g/mol:

507.284555

ΔHf, kcal/mol:

-290.22

Dipole, Da:

7.34

IP(EA), eV:

 -8.7(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)OC)C)F

DOS

IR

Vibrations