Geometry & MOs

Info

ID:

109523

PubChem CID:

50286678

Reduced:

FN5O6C33H38 (1)

Stoich.:

AB5C6D33E38 (1)

Weight, g/mol:

603.285698

ΔHf, kcal/mol:

-242.69

Dipole, Da:

3.79

IP(EA), eV:

 -8.66(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(2-methoxy-5-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)NC(C)C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations