Geometry & MOs

Info

ID:

112138

PubChem CID:

50396592

Reduced:

ClF3O4N5C34H43 (1)

Stoich.:

AB3C4D5E34F43 (1)

Weight, g/mol:

659.329454

ΔHf, kcal/mol:

-347.18

Dipole, Da:

3.82

IP(EA), eV:

 -8.78(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[1-oxo-1-[2-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F)C

DOS

IR

Vibrations