Geometry & MOs

Info

ID:

117669

PubChem CID:

50609974

Reduced:

ClN6O6C42H47 (1)

Stoich.:

AB6C6D42E47 (1)

Weight, g/mol:

602.241974

ΔHf, kcal/mol:

-198.58

Dipole, Da:

8.81

IP(EA), eV:

 -8.25(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[1-[4-fluoro-3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5)OC

DOS

IR

Vibrations