Geometry & MOs

Info

ID:

115707

PubChem CID:

50531915

Reduced:

ClF2O5N6C36H39 (1)

Stoich.:

AB2C5D6E36F39 (1)

Weight, g/mol:

585.251811

ΔHf, kcal/mol:

-262.36

Dipole, Da:

2.88

IP(EA), eV:

 -9.15(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)F)Cl

DOS

IR

Vibrations