Geometry & MOs

Info

ID:

95106

PubChem CID:

50006434

Reduced:

FO5N6C36H51 (1)

Stoich.:

AB5C6D36E51 (1)

Weight, g/mol:

652.374847

ΔHf, kcal/mol:

-281.45

Dipole, Da:

8.25

IP(EA), eV:

 -8.81(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-fluoro-3-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C(C)C

DOS

IR

Vibrations