Geometry & MOs

Info

ID:

118435

PubChem CID:

50643361

Reduced:

Cl2O5N6C34H44 (1)

Stoich.:

A2B5C6D34E44 (1)

Weight, g/mol:

682.248202

ΔHf, kcal/mol:

-225.95

Dipole, Da:

6.36

IP(EA), eV:

 -9.05(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-[(3-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)Cl)Cl

DOS

IR

Vibrations