Geometry & MOs

Info

ID:

104588

PubChem CID:

50104666

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

610.267046

ΔHf, kcal/mol:

-261.15

Dipole, Da:

9.42

IP(EA), eV:

 -8.81(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations