Geometry & MOs

Info

ID:

113353

PubChem CID:

50440710

Reduced:

ClF2O5N6C41H41 (1)

Stoich.:

AB2C5D6E41F41 (1)

Weight, g/mol:

656.312247

ΔHf, kcal/mol:

-236.34

Dipole, Da:

3.99

IP(EA), eV:

 -8.68(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-oxo-2-[2-(piperidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5Cl)C(=O)NC6=C(C=C(C=C6)F)F

DOS

IR

Vibrations