Geometry & MOs

Info

ID:

106609

PubChem CID:

50170921

Reduced:

FN6O6C40H47 (1)

Stoich.:

AB6C6D40E47 (1)

Weight, g/mol:

538.271069

ΔHf, kcal/mol:

-255.0

Dipole, Da:

3.94

IP(EA), eV:

 -8.26(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6F)OC

DOS

IR

Vibrations