Geometry & MOs

Info

ID:

109344

PubChem CID:

50281182

Reduced:

F2O5N6H36C37 (1)

Stoich.:

A2B5C6D36E37 (1)

Weight, g/mol:

693.2326

ΔHf, kcal/mol:

-223.0

Dipole, Da:

8.58

IP(EA), eV:

 -8.54(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations