Geometry & MOs

Info

ID:

117193

PubChem CID:

50594325

Reduced:

Cl2O5N6C38H42 (1)

Stoich.:

A2B5C6D38E42 (1)

Weight, g/mol:

684.320224

ΔHf, kcal/mol:

-181.9

Dipole, Da:

11.97

IP(EA), eV:

 -8.66(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC=C(C=C6)Cl)Cl

DOS

IR

Vibrations