Geometry & MOs

Info

ID:

120131

PubChem CID:

50715020

Reduced:

ClFN6O6C41H50 (1)

Stoich.:

ABC6D6E41F50 (1)

Weight, g/mol:

605.14044

ΔHf, kcal/mol:

-284.49

Dipole, Da:

5.71

IP(EA), eV:

 -8.74(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-bromo-4,5-dimethylanilino)-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)NC(=O)C2=CC=CC=C2OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl

DOS

IR

Vibrations