Geometry & MOs

Info

ID:

93816

PubChem CID:

49996925

Reduced:

F3O4N5C35H46 (1)

Stoich.:

A3B4C5D35E46 (1)

Weight, g/mol:

673.345104

ΔHf, kcal/mol:

-342.12

Dipole, Da:

5.41

IP(EA), eV:

 -8.98(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[2-(trifluoromethoxy)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations