Geometry & MOs

Info

ID:

109802

PubChem CID:

50297782

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-241.7

Dipole, Da:

8.2

IP(EA), eV:

 -8.67(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclohexanecarbonylamino)anilino]-2-oxoethyl]-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]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)NCC(=O)NC4=CC=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)C)F

DOS

IR

Vibrations