Geometry & MOs

Info

ID:

116127

PubChem CID:

50548967

Reduced:

ClF3O3N4C29H34 (1)

Stoich.:

AB3C3D4E29F34 (1)

Weight, g/mol:

567.261232

ΔHf, kcal/mol:

-281.17

Dipole, Da:

6.31

IP(EA), eV:

 -8.94(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-carbamoyl-2-methylphenyl)-1-[1-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(F)(F)F)Cl

DOS

IR

Vibrations