Geometry & MOs

Info

ID:

119556

PubChem CID:

50689807

Reduced:

ClN6O6C37H51 (1)

Stoich.:

AB6C6D37E51 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-259.63

Dipole, Da:

9.56

IP(EA), eV:

 -8.85(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)Cl

DOS

IR

Vibrations