Geometry & MOs

Info

ID:

103363

PubChem CID:

50071475

Reduced:

FN5O6C35H40 (1)

Stoich.:

AB5C6D35E40 (1)

Weight, g/mol:

683.19187

ΔHf, kcal/mol:

-254.51

Dipole, Da:

6.56

IP(EA), eV:

 -8.45(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC5=C(C=C4)OCCO5)F

DOS

IR

Vibrations