Geometry & MOs

Info

ID:

109499

PubChem CID:

50286654

Reduced:

F2O5N6C38H46 (1)

Stoich.:

A2B5C6D38E46 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-284.19

Dipole, Da:

8.97

IP(EA), eV:

 -8.68(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-acetamido-4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=C(C=C4)C)F)C)F

DOS

IR

Vibrations