Geometry & MOs

Info

ID:

93306

PubChem CID:

49993107

Reduced:

FN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

663.279917

ΔHf, kcal/mol:

-270.44

Dipole, Da:

1.69

IP(EA), eV:

 -8.62(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations