Geometry & MOs

Info

ID:

118559

PubChem CID:

50646988

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

580.206418

ΔHf, kcal/mol:

-238.25

Dipole, Da:

8.77

IP(EA), eV:

 -8.51(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl)NC(=O)CC5=CC=C(C=C5)F

DOS

IR

Vibrations