Geometry & MOs

Info

ID:

94483

PubChem CID:

50001950

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

633.313804

ΔHf, kcal/mol:

-241.69

Dipole, Da:

6.37

IP(EA), eV:

 -8.65(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)F)C

DOS

IR

Vibrations