Geometry & MOs

Info

ID:

95232

PubChem CID:

50007398

Reduced:

F3O4N5C32H42 (1)

Stoich.:

A3B4C5D32E42 (1)

Weight, g/mol:

595.353383

ΔHf, kcal/mol:

-307.95

Dipole, Da:

4.76

IP(EA), eV:

 -9.22(-0.62)

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-(5-fluoro-2-methylanilino)-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=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations