Geometry & MOs

Info

ID:

115527

PubChem CID:

50526276

Reduced:

ClN5O6C32H44 (1)

Stoich.:

AB5C6D32E44 (1)

Weight, g/mol:

666.212424

ΔHf, kcal/mol:

-251.72

Dipole, Da:

6.79

IP(EA), eV:

 -8.05(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[1-[5-chloro-2-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=C(C=C1)OC)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations