Geometry & MOs

Info

ID:

110311

PubChem CID:

50319720

Reduced:

ClFO5N6C43H46 (1)

Stoich.:

ABC5D6E43F46 (1)

Weight, g/mol:

462.122546

ΔHf, kcal/mol:

-210.44

Dipole, Da:

3.26

IP(EA), eV:

 -8.52(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC6=CC(=C(C=C6)C)F)C

DOS

IR

Vibrations