Geometry & MOs

Info

ID:

120015

PubChem CID:

50711589

Reduced:

ClFN6O6C38H44 (1)

Stoich.:

ABC6D6E38F44 (1)

Weight, g/mol:

562.13463

ΔHf, kcal/mol:

-253.49

Dipole, Da:

9.61

IP(EA), eV:

 -8.22(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromophenyl)-1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)OC

DOS

IR

Vibrations