Geometry & MOs

Info

ID:

117522

PubChem CID:

50605872

Reduced:

ClFO4N5C34H39 (1)

Stoich.:

ABC4D5E34F39 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-185.43

Dipole, Da:

13.58

IP(EA), eV:

 -8.83(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[3-(piperidine-1-carbonyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)Cl

DOS

IR

Vibrations