Geometry & MOs

Info

ID:

96746

PubChem CID:

50024148

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

580.14853

ΔHf, kcal/mol:

-225.27

Dipole, Da:

6.29

IP(EA), eV:

 -8.7(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations