Geometry & MOs

Info

ID:

113171

PubChem CID:

50433371

Reduced:

ClF3O4N5C31H39 (1)

Stoich.:

AB3C4D5E31F39 (1)

Weight, g/mol:

619.298154

ΔHf, kcal/mol:

-331.51

Dipole, Da:

6.65

IP(EA), eV:

 -9.08(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[2-(trifluoromethoxy)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations