Geometry & MOs

Info

ID:

96858

PubChem CID:

50025130

Reduced:

F2O5N6C40H50 (1)

Stoich.:

A2B5C6D40E50 (1)

Weight, g/mol:

580.14853

ΔHf, kcal/mol:

-289.49

Dipole, Da:

8.6

IP(EA), eV:

 -8.77(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-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)NC(C(C)C)C(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations