Geometry & MOs

Info

ID:

99426

PubChem CID:

50050738

Reduced:

F3O4N5C34H38 (1)

Stoich.:

A3B4C5D34E38 (1)

Weight, g/mol:

633.312661

ΔHf, kcal/mol:

-276.77

Dipole, Da:

7.7

IP(EA), eV:

 -8.89(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-fluoro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations