Geometry & MOs

Info

ID:

109065

PubChem CID:

50271095

Reduced:

F3O4N5C32H34 (1)

Stoich.:

A3B4C5D32E34 (1)

Weight, g/mol:

605.281361

ΔHf, kcal/mol:

-260.5

Dipole, Da:

14.55

IP(EA), eV:

 -8.85(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-1-[1-[4-[(3-fluorophenyl)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)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations