Geometry & MOs

Info

ID:

114872

PubChem CID:

50500505

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-248.45

Dipole, Da:

8.58

IP(EA), eV:

 -8.9(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations