Geometry & MOs

Info

ID:

90232

PubChem CID:

49967825

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-231.71

Dipole, Da:

5.42

IP(EA), eV:

 -8.78(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=C(C=C5)C)F

DOS

IR

Vibrations