Geometry & MOs

Info

ID:

109552

PubChem CID:

50287891

Reduced:

ClFN5O5C32H35 (1)

Stoich.:

ABC5D5E32F35 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-215.61

Dipole, Da:

13.56

IP(EA), eV:

 -8.95(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamido-3-methylanilino)-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

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

DOS

IR

Vibrations