Geometry & MOs

Info

ID:

114936

PubChem CID:

50502433

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

597.05452

ΔHf, kcal/mol:

-194.69

Dipole, Da:

7.31

IP(EA), eV:

 -8.39(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]-1-[1-(3-carbamoyl-4-chloroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations