Geometry & MOs

Info

ID:

113884

PubChem CID:

50462554

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-238.29

Dipole, Da:

7.56

IP(EA), eV:

 -8.29(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations