Geometry & MOs

Info

ID:

119637

PubChem CID:

50694844

Reduced:

ClFN6O6C38H44 (1)

Stoich.:

ABC6D6E38F44 (1)

Weight, g/mol:

670.304574

ΔHf, kcal/mol:

-263.68

Dipole, Da:

10.69

IP(EA), eV:

 -8.71(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-fluoro-5-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations