Geometry & MOs

Info

ID:

99942

PubChem CID:

50056482

Reduced:

FN6O6C41H43 (1)

Stoich.:

AB6C6D41E43 (1)

Weight, g/mol:

580.14853

ΔHf, kcal/mol:

-221.09

Dipole, Da:

12.33

IP(EA), eV:

 -8.68(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-bromophenyl)-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations