Geometry & MOs

Info

ID:

116677

PubChem CID:

50571162

Reduced:

ClN6O7C38H49 (1)

Stoich.:

AB6C7D38E49 (1)

Weight, g/mol:

618.212424

ΔHf, kcal/mol:

-287.95

Dipole, Da:

6.98

IP(EA), eV:

 -8.7(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-chloro-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCOCC6

DOS

IR

Vibrations